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Zaurategrast,抑制剂CAS号 : 455264-31-0 Compound CID : 10186367分子式: C26H25BrN4O3 分子量: 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: InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1
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Firategrast,拮抗剂CAS号 : 402567-16-2 Compound CID : 9935681分子式: C27H27F2NO6 分子量: 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: InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1
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甲氯芬那酸分子式: C14H11Cl2NO2 分子量: 296.15IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acidSMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)ClInChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-NInChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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氟灭酸分子式: C14H10F3NO2 分子量: 281.23IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)FInChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-NInChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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(S)-(+)-2-(6-甲氧基-2-萘基)丙酸CAS号 : 22204-53-1分子式: C14H14O3 分子量: 230.26IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidSMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OInChIKey: CMWTZPSULFXXJA-VIFPVBQESA-NInChI: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
