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Search results for: '2820538-02-9'
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AB-MECA, Agonist of A 2A receptor;Agonist of A 3 receptor
Cas Number: 152918-26-8Formula: C18H21N7O4Molecular weight: 399.4Synonyms: LDYMCRRFCMRFKB-MOROJQBDSA-N | 5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxo...SMILES: CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N)O)OInChIKey: LDYMCRRFCMRFKB-MOROJQBDSA-NInChI: InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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Acenaphthylene
Cas Number: 208-96-8Formula: C12H8Molecular weight: 152.19Synonyms: NCGC00163967-03 | NSC59821 | NSC-59821 | Tox21_201825 | AC-26296 | InChI=1/C12H8/c1-3-9-4-2-6-11-8-7...SMILES: C1=CC2=C3C(=C1)C=CC3=CC=C2InChIKey: HXGDTGSAIMULJN-UHFFFAOYSA-NInChI: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
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methyl 3-bromopyrazine-2-carboxylate
Cas Number: 51171-02-9Formula: C6H5BrN2O2Molecular weight: 217.022Synonyms: Methyl 3-Bromopyrazine-2-carboxylate|51171-02-9|Methyl 3-Bromo-2-pyrazinecarboxylate|C6H5BrN2O2|MFCD...SMILES: COC(=O)C1=NC=CN=C1BrInChIKey: CMITUAXQMWSHLL-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3
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Aloin
Formula: C21H22O9Molecular weight: 418.39Synonyms: ALOIN A [MI] | CROPROPAMIDE [MART.] | NSC 227189 | s2375 | AKOS022168218 | Barbaloin A | BRN 1745755...SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)COInChIKey: AFHJQYHRLPMKHU-OSYMLPPYSA-NInChI: InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1
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7-Methoxycoumarin
Cas Number: 531-59-9Formula: C10H8O3Molecular weight: 176.17Synonyms: 7-Methoxy Coumarin | KBio2_003440 | Methyl umbelliferyl ether | BRD-K81209159-001-02-9 | HY-N1366 | ...SMILES: COC1=CC2=C(C=C1)C=CC(=O)O2InChIKey: LIIALPBMIOVAHH-UHFFFAOYSA-NInChI: InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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2-Bromohexadecanoic acid
Cas Number: 18263-25-7 EC Number: 242-137-0Formula: CH3(CH2)13CH(Br)CO2HMolecular weight: 335.32Synonyms: CAS-18263-25-7 | CHEBI:133152 | NCGC00164251-02 | PD165437 | FT-0611564 | SCHEMBL97565 | LMFA0109001...SMILES: CCCCCCCCCCCCCCC(C(=O)O)BrInChIKey: DPRAYRYQQAXQPE-UHFFFAOYSA-NInChI: InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
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(19S)-19-ethyl-19-hydroxy-8-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione, DNA topoisomerase I inhibitor
Formula: C25H28N2O4SiMolecular weight: 448.6Synonyms: CHEMBL1743260 | SYXGVIWFCCQOEK-VWLOTQADSA-NSMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)CC[Si](C)(C)C)OInChIKey: SYXGVIWFCCQOEK-VWLOTQADSA-NInChI: InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-16(13-27(21)23(28)18(19)14-31-24(25)29)11-17-15(9-10-32(2,3)4)7-6-8-20(17)26-22/h6-8,11-12,30H,5,9-10,13-14H2,1-4H3/t25-/m0/s1
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CID44216842
Cas Number: 1222513-26-9Formula: C22H20BrN3O3SMolecular weight: 486.38Synonyms: CID44216842|1222513-26-9|KUC103479N|4-[5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-pyrazolin-1-yl]benzen...SMILES: COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)S(=O)(=O)NInChIKey: LPUYDLXQQMWRLR-UHFFFAOYSA-NInChI: InChI=1S/C22H20BrN3O3S/c1-29-19-4-2-3-16(13-19)21-14-22(15-5-7-17(23)8-6-15)26(25-21)18-9-11-20(12-10-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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Valacyclovir Hydrochloride Hydrate, Human herpesvirus 1 DNA polymerase inhibitor
Cas Number: 124832-27-5Formula: C13H20N6O4·HCl·xH2OMolecular weight: 360.8Synonyms: CS-1966 | HY-17425A | NCGC00159520-02 | NSC 759101 | VALACICLOVIR HYDROCHLORIDE [EP MONOGRAPH] | Val...SMILES: CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.ClInChIKey: ZCDDBUOENGJMLV-QRPNPIFTSA-NInChI: InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1
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L-750,667, Antagonist of D 4 receptor
Cas Number: 158985-08-1Formula: C18H19IN4Molecular weight: 418.3Synonyms: 3-[4-(4-iodophenyl)piperazin-1-yl]methyl-1H-pyrrolo[2,3-b]pyridine | CHEBI:92507 | BPBio1_001349 | N...SMILES: Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2InChIKey: OOEUHRGMLFVKQO-UHFFFAOYSA-NInChI: InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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Frentizole
Cas Number: 26130-02-9Formula: C15H13N3O2SMolecular weight: 299.35Synonyms: FRENTIZOLE|26130-02-9|Frentizol|Compound 53616|1-(6-Methoxy-2-benzothiazolyl)-3-phenylurea|Urea, N-(...SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3InChIKey: JHBWYQRKOUBPCA-UHFFFAOYSA-NInChI: InChI=1S/C15H13N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
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A 1070722
Cas Number: 1384424-80-9Formula: C17H13F3N4O2Molecular weight: 362.31Synonyms: A-1070722 | Kinome_2324 | A 1070722 | Kinome_2278 | EX-A3458 | VQPBIJGXSXEOCU-UHFFFAOYSA-N | MS-2574...SMILES: COC1=CC2=NC=CC(=C2C=C1)NC(=O)NC3=CC=CC(=N3)C(F)(F)FInChIKey: VQPBIJGXSXEOCU-UHFFFAOYSA-NInChI: InChI=1S/C17H13F3N4O2/c1-26-10-5-6-11-12(7-8-21-13(11)9-10)22-16(25)24-15-4-2-3-14(23-15)17(18,19)20/h2-9H,1H3,(H2,21,22,23,24,25)
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7,8-Dihydroxy-4-methylcoumarin
Cas Number: 2107-77-9Formula: C10H8O4Molecular weight: 192.17Synonyms: BDBM50022184 | BRD-K49207204-001-02-9 | DivK1c_006593 | NCI-C05210 | KBio2_001513 | Spectrum3_000596...SMILES: CC1=CC(=O)OC2=C1C=CC(=C2O)OInChIKey: NWQBYMPNIJXFNQ-UHFFFAOYSA-NInChI: InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3
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Triglycidyl Isocyanurate
Formula: C12H15N3O6Molecular weight: 297.26Synonyms: TGIC | 1,3,5-Triglycidyl-s-triazinetrione | CAS-2451-62-9 | MFCD00080670 | HSDB 7188 | MLS002703049 ...SMILES: C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4InChIKey: OUPZKGBUJRBPGC-UHFFFAOYSA-NInChI: InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
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2-Hexyldecanoic Acid
Cas Number: 25354-97-6Formula: C16H32O2Molecular weight: 256.43Synonyms: EINECS 246-885-9 | W-110625 | 2-hexyl-1-decanoic acid | hexyldecanoic acid | 49M19XFI8B | BP-31086 |...SMILES: CCCCCCCCC(CCCCCC)C(=O)OInChIKey: JMOLZNNXZPAGBH-UHFFFAOYSA-NInChI: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
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Sotorasib (AMG510) racemate, GTPase KRas inhibitor
Cas Number: 2252403-56-6Formula: C30H30F2N6O3Molecular weight: 560.59Synonyms: 2252403-56-6 | BA172505 | BDBM50514402 | AMG 510 pound>>AMG-510 | BRD-K03981224-001-02-9 | Congestio...SMILES: CC1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)C=CInChIKey: NXQKSXLFSAEQCZ-SFHVURJKSA-NInChI: InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1
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Alosetron Hydrochloride, Serotonin 3a (5-HT3a) receptor antagonist
Cas Number: 122852-69-1Formula: C17H19ClN4OMolecular weight: 330.81Synonyms: ALOSETRON HYDROCHLORIDE|122852-69-1|Alosetron HCl|Lotronex|GR 68755c|Lotrpnex|Alosetron (Hydrochlori...SMILES: CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.ClInChIKey: FNYQZOVOVDSGJH-UHFFFAOYSA-NInChI: InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
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3-Bromonitrobenzene
Cas Number: 585-79-5Formula: C6H4BrNO2Molecular weight: 202.01Synonyms: 4-Bromo-2-nitrobenzene | CCRIS 3114 | AB01333606-02 | BCP18660 | 3-Bromonitrobenzene | 3-bromo-nitro...SMILES: C1=CC(=CC(=C1)Br)[N+](=O)[O-]InChIKey: FWIROFMBWVMWLB-UHFFFAOYSA-NInChI: InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
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Salicylaldehyde
Cas Number: 90-02-8 EC Number: MFCD00003317Formula: C7H6O2Molecular weight: 122.12Synonyms: InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9 | NCGC00249108-01 | Salicylal | o-Hydroxybenzaldehyde | S...SMILES: C1=CC=C(C(=C1)C=O)OInChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-NInChI: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
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Splitomicin, Inhibitor of sirtuin 1
Cas Number: 5690-03-9Formula: C13H10O2Molecular weight: 198.22Synonyms: CS-0019737 | S0892 | Bio2_000878 | BRD-K27710560-001-02-6 | BSPBio_001116 | NCGC00025208-01 | 1H-ben...SMILES: C1CC(=O)OC2=C1C3=CC=CC=C3C=C2InChIKey: ISFPDBUKMJDAJH-UHFFFAOYSA-NInChI: InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
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4,9,11-Trioxatetracyclo[5.3.1.02,6.08,10]undecan-3-one
Cas Number: 632339-23-2Formula: C8H8O4Molecular weight: 168.15Synonyms: 4,9,11-trioxatetracyclo[5.3.1.0?,?.0?,??]undecan-3-one | 4,9,11-trioxatetracyclo[5.3.1.02,6.08,10]un...SMILES: C1C2C(C3C4C(C2O3)O4)C(=O)O1InChIKey: UAFDSOCDQRHNCL-UHFFFAOYSA-NInChI: InChI=1S/C8H8O4/c9-8-3-2(1-10-8)4-6-7(12-6)5(3)11-4/h2-7H,1H2
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TM30089, Antagonist of DP 2 receptor
Cas Number: 844639-57-2Synonyms: 627865-18-3 (rotation +) | 9H-Carbazole-9-acetic acid, 3-(((4-fluorophenyl)sulfonyl)methylamino)-1,2...SMILES: CN(C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)FInChIKey: CANCTKXGRVNXFP-UHFFFAOYSA-NInChI: InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)
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47 Citations