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Zaurategrast, Inhibitor of integrin α4β1;Inhibitor of integrin α4β7;Inhibitor of integrin; alpha 4 subunit (antigen CD49D; alpha 4 subunit of VLA-4 receptor)Cas Number: 455264-31-0 Compound CID: 10186367Formula: C26H25BrN4O3 Molecular Weight: 521.42IUPAC Name: (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoic acidSMILES: C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)NC4=NC=CC5=C4C=NC=C5)C(=O)OInChIKey: KYHVWHYLKOHLKA-FQEVSTJZSA-NInChI: show more
Synonyms: HY-70073 | AKOS016005046 | NCGC00378753-01 | DTXSID90196547 | Zaurategrast | CT7758 | CT-7758 | ZAURATEGRAST [WHO-DD]... -
Firategrast, Integrin alpha-4/beta-7 antagonistCas Number: 402567-16-2Formula: C27H27F2NO6 Molecular Weight: 499.5IUPAC Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acidSMILES: CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OCInChIKey: YLFZHHDVRSYTKT-NRFANRHFSA-NInChI: show more Synonyms: SCHEMBL918399 | HY-14951 | AC-30127 | Firategrast [USAN] | (1,1'-Biphenyl)-4-propanoic acid, alpha-((2,6-difluorobenz...
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Bis(4-nitrophenyl) phosphateCas Number: 645-15-8 EC Number: 211-434-7Formula: C12H9N2O8P Molecular Weight: 340.18IUPAC Name: bis(4-nitrophenyl) hydrogen phosphateSMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-]InChIKey: MHSVUSZEHNVFKW-UHFFFAOYSA-NInChI: InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)Synonyms: HMS3085F04 | AS-17229 | Phosphoric Acid Bis-(4-nitro-phenyl)ester | 4-06-00-01330 (Beilstein Handbook Reference) | NS...
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PhenanthrenequinoneCas Number: 84-11-7 EC Number: 201-515-5Formula: C14H8O2 Molecular Weight: 208.21IUPAC Name: phenanthrene-9,10-dioneSMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=OInChIKey: YYVYAPXYZVYDHN-UHFFFAOYSA-NInChI: InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8HSynonyms: AS-14257 | Phenanthroquinone | SR-01000512656 | SB67051 | BP-13416 | SCHEMBL43050 | SR-01000512656-1 | Phenanthrene,1...
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PhenanthrenequinoneCas Number: 84-11-7 EC Number: 201-515-5Formula: C14H8O2 Molecular Weight: 208.21IUPAC Name: phenanthrene-9,10-dioneSMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=OInChIKey: YYVYAPXYZVYDHN-UHFFFAOYSA-NInChI: InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8HSynonyms: AS-14257 | Phenanthroquinone | SR-01000512656 | SB67051 | BP-13416 | SCHEMBL43050 | SR-01000512656-1 | Phenanthrene,1...
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AcenaphthenequinoneCas Number: 82-86-0 EC Number: 201-441-3Formula: C12H6O2 Molecular Weight: 182.17IUPAC Name: acenaphthylene-1,2-dioneSMILES: C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2InChIKey: AFPRJLBZLPBTPZ-UHFFFAOYSA-NInChI: InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6HSynonyms: FT-0621717 | Tox21_202947 | NCGC00260493-01 | Q2739953 | 1,2-Diketoacenaphthene | Acenaphthenedione | Acenaphthenequi...
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BenzilCas Number: 134-81-6 EC Number: 205-157-0Formula: C14H10O2 Molecular Weight: 210.23IUPAC Name: 1,2-diphenylethane-1,2-dioneSMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2InChIKey: WURBFLDFSFBTLW-UHFFFAOYSA-NInChI: InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10HSynonyms: Dibenzoyl | CAS-134-81-6 | CS-0012125 | DTXSID3044380 | SCHEMBL66 | diphenylethane-1,2-dione | NSC4041 | NSC-4041 | E...
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1,2-NaphthoquinoneCas Number: 524-42-5 EC Number: 208-360-2Formula: C10H6O2 Molecular Weight: 158.15IUPAC Name: naphthalene-1,2-dioneSMILES: C1=CC=C2C(=C1)C=CC(=O)C2=OInChIKey: KETQAJRQOHHATG-UHFFFAOYSA-NInChI: InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6HSynonyms: BBL027354 | 1,2-Naphthalenedione | HSDB 2036 | NAPHTHOQUINONE, 1,2- | 1,2-Dihydro-1,2-diketo-naphthalene | F30116 | 1...
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2,2,2-TrifluoroacetophenoneFormula: C8H5F3O Molecular Weight: 174.12IUPAC Name: 2,2,2-trifluoro-1-phenylethanoneSMILES: C1=CC=C(C=C1)C(=O)C(F)(F)FInChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-NInChI: InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5HSynonyms: 2,2-Trifluoroacetophenone | Trifluoroacetophenone | 6T7L1UPY09 | Ethanone,2,2-trifluoro-1-phenyl- | Acetophenone,2,2-...
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4,4’-DimethylbenzilCas Number: 3457-48-5Formula: C16H14O2 Molecular Weight: 238.29IUPAC Name: 1,2-bis(4-methylphenyl)ethane-1,2-dioneSMILES: CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)CInChIKey: BCWCEHMHCDCJAD-UHFFFAOYSA-NInChI: InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3Synonyms: 1,2-bis(p-tolyl)-ethane-1,2-dione | N11959 | NSC-409583 | NSC 22505 | Benzil-based compound, 18 | FT-0617089 | Ethane...
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2,2′-PyridilCas Number: 492-73-9 Compound CID: 68115Formula: C12H8N2O2 Molecular Weight: 212.2IUPAC Name: 1,2-dipyridin-2-ylethane-1,2-dioneSMILES: C1=CC=NC(=C1)C(=O)C(=O)C2=CC=CC=N2InChIKey: PIINXYKJQGMIOZ-UHFFFAOYSA-NInChI: InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8HSynonyms: FT-0632223 | .alpha.-Pyridil | CS-0199434 | MFCD00006301 | Glyoxal, di-2-pyridyl- | Bis(2-pyridyl)ethanedione | FG-04...
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1,1,1-Trifluoro-3-phenyl-2-propanoneCas Number: 350-92-5 Compound CID: 222958Formula: C9H7F3O Molecular Weight: 188.15IUPAC Name: 1,1,1-trifluoro-3-phenylpropan-2-oneSMILES: C1=CC=C(C=C1)CC(=O)C(F)(F)FInChIKey: IAJKTOIWQHTZOS-UHFFFAOYSA-NInChI: InChI=1S/C9H7F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2Synonyms: BDBM50163153 | NSC10062 | NSC-10062 | AM20040255 | benzyl trifluoromethyl ketone | 1,1,1-Trifluoro-3-phenyl-2-propano...
