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整合素
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精氨酸-甘氨酸-天冬氨酸-丝氨酸CAS号: 91037-65-9分子式: C15H27N7O8 分子量: 433.42IUPAC Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acidSMILES: C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)N)CN=C(N)NInChIKey: NNRFRJQMBSBXGO-CIUDSAMLSA-NInChI: 1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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4-(p-甲苯基硫)噻吩并[2,3-c]吡啶-2-甲酰胺CAS号: 251992-66-2分子式: C15H12N2OS2 分子量: 300.39IUPAC Name: 4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamideSMILES: CC1=CC=C(C=C1)SC2=C3C=C(SC3=CN=C2)C(=O)NInChIKey: QQGWEXFLMJGCAL-UHFFFAOYSA-NInChI: 1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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盐酸替罗非班 一水合物CAS号: 150915-40-5 Compound CID : 60946分子式: C22H36N2O5S·HCl·H2O 分子量: 495.07IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrate;hydrochlorideSMILES: CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.ClInChIKey: HWAAPJPFZPHHBC-FGJQBABTSA-NInChI: 1S/C22H36N2O5S.ClH.H2O/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H;1H2/t21-;;/m0../s1
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替罗非班CAS号: 144494-65-5 Compound CID : 60947分子式: C22H36N2O5S 分子量: 440.6IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acidSMILES: CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)OInChIKey: COKMIXFXJJXBQG-NRFANRHFSA-NInChI: 1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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3,3',5,5'-四碘甲腺-乙酸分子式: C14H8O4I4 分子量: 747.83IUPAC Name: 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acidSMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(=O)OInChIKey: PPJYSSNKSXAVDB-UHFFFAOYSA-NInChI: 1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
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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: 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: 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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3-羟基-9H-占吨-9-酮CAS号: 3722-51-8分子式: C13H8O3 分子量: 212.2IUPAC Name: 3-hydroxyxanthen-9-oneSMILES: C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)OInChIKey: XCJHDJAODLKGLG-UHFFFAOYSA-NInChI: 1S/C13H8O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,14H
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精氨酰-甘氨酰-天冬氨酸CAS号: 99896-85-2分子式: C12H22N6O6 分子量: 346.34IUPAC Name: (2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acidSMILES: C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)N)CN=C(N)NInChIKey: IYMAXBFPHPZYIK-BQBZGAKWSA-NInChI: 1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1
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立他司特CAS号: 1025967-78-5分子式: C29H24Cl2N2O7S 分子量: 615.48IUPAC Name: (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acidSMILES: CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)ClInChIKey: JFOZKMSJYSPYLN-QHCPKHFHSA-NInChI: See more
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