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SEW2871, Agonist of S1P 1 receptorCas Number: 256414-75-2 Compound CID: 4077460Formula: C20H10F6N2OS Molecular Weight: 440.36IUPAC Name: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleSMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)FInChIKey: OYMNPJXKQVTQTR-UHFFFAOYSA-NInChI: InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10HSynonyms: Q27088784 | SEW2871, >=98% (HPLC), solid | FT-0602670 | J-016085 | OYMNPJXKQVTQTR-UHFFFAOYSA-N | SR-01000695417-2 | D...
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Berberine Sulfate HydrateCas Number: 316-41-6Formula: C40H36N2O12S·xH2O Molecular Weight: 768.79IUPAC Name: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;sulfateSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]InChIKey: OJVABJMSSDUECT-UHFFFAOYSA-LInChI: show more
Synonyms: AI3-61947 | Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydr0-9,10-dimethoxy-, sulfate (2:1) | DTXSID7097745... -
L-ValineCas Number: 72-18-4 EC Number: 200-773-6Formula: C5H11NO2 Molecular Weight: 117.15IUPAC Name: (2S)-2-amino-3-methylbutanoic acidSMILES: CC(C)C(C(=O)O)NInChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-NInChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1Synonyms: 2-Amino-3-methylbutyric acid, (S)- | bmse000052 | HY-N0717 | L-(+)-.alpha.-Aminoisovaleric acid | L-valine | VALINE [...
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ChromeceptinCas Number: 331859-86-0Formula: C19H16F3N3O Molecular Weight: 359.35IUPAC Name: 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrileSMILES: CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)C(F)(F)FInChIKey: GVINXTXGDDSXFQ-UHFFFAOYSA-NInChI: InChI=1S/C19H16F3N3O/c1-25(2)13-6-7-14-16(9-13)26-18(24)15(10-23)17(14)11-4-3-5-12(8-11)19(20,21)22/h3-9,17H,24H2,1-2H3Synonyms: AKOS040758881 | Chromeceptin | NCGC00485180-01 | SCHEMBL4327759 | Chromeceptin, >=98% (HPLC), solid | MS-25660 | 2-am...
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Bisphenol A, Antagonist of Androgen receptor;Agonist of Estrogen receptor-βCas Number: 80-05-7 EC Number: 201-245-8Formula: C15H16O2 Molecular Weight: 228.29IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolSMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: IISBACLAFKSPIT-UHFFFAOYSA-NInChI: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3Synonyms: 2,2-Bis(4-hydroxyphenyl)propane | 4,4'-Isopropylidenediphenol
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OnoninCas Number: 486-62-4Formula: C22H22O9 Molecular Weight: 430.4IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)OInChIKey: MGJLSBDCWOSMHL-MIUGBVLSSA-NInChI: show more Synonyms: 2-(2,2-Dicyclohexylethyl)piperidine acid maleate | FORMONONETIN 7-O-.BETA.-D-GLUCOSIDE | Z0Z637970U | 4H-1-Benzopyran...
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Oxaprozin, Cyclooxygenase inhibitorCas Number: 21256-18-8Formula: C18H15NO3 Molecular Weight: 293.32IUPAC Name: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acidSMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3InChIKey: OFPXSFXSNFPTHF-UHFFFAOYSA-NInChI: InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)Synonyms: GTPL7252 | Lopac-O-9637 | SPBio_002940 | 3-(diphenyl-1,3-oxazol-2-yl)propanoic acid | Wy21743 | WY-21743 | BIDD:PXR01...
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Yoda 1, Activator of Piezo1Cas Number: 448947-81-7 Compound CID: 2746822Formula: C13H8Cl2N4S2 Molecular Weight: 355.27IUPAC Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazoleSMILES: C1=CC(=C(C(=C1)Cl)CSC2=NN=C(S2)C3=NC=CN=C3)ClInChIKey: BQNXBSYSQXSXPT-UHFFFAOYSA-NInChI: InChI=1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2Synonyms: GTPL9817 | s6678 | UNII-TW6GF9RW6S | 2-[5-[[(2,6-Dichlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]pyrazine | 2-[5-[[...
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MethyleugenolCas Number: 93-15-2 EC Number: 202-223-0Formula: C11H14O2 Molecular Weight: 178.23IUPAC Name: 1,2-dimethoxy-4-prop-2-enylbenzeneSMILES: COC1=C(C=C(C=C1)CC=C)OCInChIKey: ZYEMGPIYFIJGTP-UHFFFAOYSA-NInChI: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3Synonyms: 1-(3,4-Dimethoxyphenyl)-2-propene | 1,2-Dimethoxy-4-allyl benzene | 1,2-dimethoxy-4-prop-2-enylbenzene | Benzene, 1,2...
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YS-49Cas Number: 132836-42-1 Compound CID: 10249534Formula: C20H20BrNO2 Molecular Weight: 386.28IUPAC Name: 1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromideSMILES: C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=CC4=CC=CC=C43.BrInChIKey: JXFRKNGQHAAJKY-UHFFFAOYSA-NInChI: InChI=1S/C20H19NO2.BrH/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14;/h1-7,11-12,18,21-23H,8-10H2;1HSynonyms: 1-(Naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide monohydrate | FT-0766908 | YS49 | YS-4...
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Perifosine (KRX-0401)Cas Number: 157716-52-4Formula: C25H52NO4P Molecular Weight: 461.66IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphateSMILES: CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)CInChIKey: SZFPYBIJACMNJV-UHFFFAOYSA-NInChI: InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3Synonyms: Piperidinium,1-dimethyl-, inner salt | 2GWV496552 | GTPL7424 | EX-3388 | s1037 | AB01563363_01 | 1,1-dimethylpiperidi...
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ThymoquinoneFormula: C10H12O2 Molecular Weight: 164.2IUPAC Name: 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dioneSMILES: CC1=CC(=O)C(=CC1=O)C(C)CInChIKey: KEQHJBNSCLWCAE-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3Synonyms: InChI=1/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H | 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione | p-Men...
