小分子和化合物库
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盐酸地拉普利CAS号: 83435-67-0 Compound CID : 5362115分子式: C26H32N2O5·HCl 分子量: 489.01IUPAC Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid;hydrochlorideSMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.ClInChIKey: FDJCVHVKXFIEPJ-JCNFZFLDSA-NInChI: 1S/C26H32N2O5.ClH/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22;/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30);1H/t18-,23-;/m0./s1
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3,3'-二硫代二丙酸二(N-羟基丁二酰亚胺)酯 [交联剂]CAS号: 57757-57-0分子式: C14H16N2O8S2 分子量: 404.41IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoateSMILES: C1CC(=O)N(C1=O)OC(=O)CCSSCCC(=O)ON2C(=O)CCC2=OInChIKey: FXYPGCIGRDZWNR-UHFFFAOYSA-NInChI: 1S/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2
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买麻藤醇CAS号: 86361-55-9分子式: C14H12O4 分子量: 244.25IUPAC Name: 2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diolSMILES: C1=CC(=C(C(=C1)O)C=CC2=CC(=CC(=C2)O)O)OInChIKey: DQULNTWGBBNZSC-SNAWJCMRSA-NInChI: 1S/C14H12O4/c15-10-6-9(7-11(16)8-10)4-5-12-13(17)2-1-3-14(12)18/h1-8,15-18H/b5-4+
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D-α-托可醌分子式: C29H50O3 分子量: 446.72IUPAC Name: 2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dioneSMILES: CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)CInChIKey: LTVDFSLWFKLJDQ-IEOSBIPESA-NInChI: 1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
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3β-羟基-Δ5-胆烯酸CAS号: 5255-17-4分子式: C24H38O3 分子量: 374.57IUPAC Name: (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: HIAJCGFYHIANNA-QIZZZRFXSA-NInChI: 1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1
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柚皮素分子式: C15H12O5 分子量: 272.25IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-NInChI: 1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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AN2/AVex-73盐酸盐CAS号: 195615-84-0分子式: C19H24ClNO 分子量: 317.86IUPAC Name: 1-(2,2-diphenyloxolan-3-yl)-N,N-dimethylmethanamine;hydrochlorideSMILES: CN(C)CC1CCOC1(C2=CC=CC=C2)C3=CC=CC=C3.ClInChIKey: FEQOLYDPQKHFTD-UHFFFAOYSA-NInChI: 1S/C19H23NO.ClH/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18H,13-15H2,1-2H3;1H
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APR-246,恢复突变体p53活性CAS号: 5291-32-7分子式: C10H17NO3 分子量: 199.25IUPAC Name: 2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-oneSMILES: COCC1(C(=O)C2CCN1CC2)COInChIKey: BGBNULCRKBVAKL-UHFFFAOYSA-NInChI: 1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3
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B-Raf抑制剂1二盐酸盐CAS号: 1191385-19-9 Compound CID : 44247765分子式: C26H21Cl3N8 分子量: 551.86IUPAC Name: 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine;dihydrochlorideSMILES: CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=C(C=C3)Cl)NC4=C(C=CC=N4)C5=C6C(=NC=N5)N=CN6.Cl.ClInChIKey: HRLQRNBAJCQMMG-UHFFFAOYSA-NInChI: 1S/C26H19ClN8.2ClH/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23;;/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33);2*1H
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4-孕烯-3,11,20-三酮CAS号: 516-15-4分子式: C21H28O3 分子量: 328.456IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dioneSMILES: CC(=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)CInChIKey: WKAVAGKRWFGIEA-DADBAOPHSA-NInChI: 1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1
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UNC2025CAS号: 1429881-91-3分子式: C28H40N6O 分子量: 476.66IUPAC Name: 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-olSMILES: CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)CInChIKey: MJSHVHLADKXCML-UHFFFAOYSA-NInChI: 1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)
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