小分子和化合物库
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西咪替丁CAS号 : 51481-61-9 Compound CID : 2756分子式: C10H16N6S 分子量: 252.34IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidineSMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#NInChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-NInChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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EC-23,光稳定的合成类维生素ACAS号 : 104561-41-3 Compound CID : 10314719分子式: C23H24O2 分子量: 332.44IUPAC Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)CInChIKey: OQVLOWLEEHYBJH-UHFFFAOYSA-NInChI: InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
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BMS 961,RARγ激动剂CAS号 : 185629-22-5 Compound CID : 2418分子式: C23H26FNO4 分子量: 399.46IUPAC Name: 3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C(C(=O)NC3=C(C=C(C=C3)C(=O)O)F)O)(C)C)CInChIKey: AANFHDFOMFRLLR-UHFFFAOYSA-NInChI: InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)
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N-去甲基洛哌丁胺CAS号 : 66164-07-6 Compound CID : 9805944分子式: C28H31ClN2O2 分子量: 463.01IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamideSMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-NInChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
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舒洛地尔CAS号 : 54767-75-8 Compound CID : 657255分子式: C20H35NOS 分子量: 337.56IUPAC Name: (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-olSMILES: CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OInChIKey: BFCDFTHTSVTWOG-YLJYHZDGSA-NInChI: InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
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他扎罗汀CAS号 : 118292-40-3(DMSO)分子式: C21H21NO2S 分子量: 351.46SMILES: CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(SCCC3(C)C)C=C2
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法莫替丁CAS号 : 76824-35-6(DMSO)分子式: C8H15N7O2S3 分子量: 337.45SMILES: NC(=N)NC1=NC(=CS1)CSCCC(=N)N[S](N)(=O)=O
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维生素A酸CAS号 : 302-79-4(DMSO)分子式: C20H28O2 分子量: 300.4SMILES: CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)C(C)(C)CCC1
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阿达帕林CAS号 : 106685-40-9(DMSO)分子式: C28H28O3 分子量: 412.52SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(O)=O)[C]45CC6[CH2][CH](C[CH]([CH2]6)C4)C5
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