小分子和化合物库
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ABP 688,人类mGlu5拮抗剂CAS号 : 924298-51-1 Compound CID : 11481862分子式: C15H16N2O 分子量: 240.3IUPAC Name: (E)-N-methoxy-3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-imineSMILES: CC1=NC(=CC=C1)C#CC2=CC(=NOC)CCC2InChIKey: CNNZLFXCUQLKOB-BMRADRMJSA-NInChI: InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
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DH 97CAS号 : 343263-95-6 Compound CID : 3467177分子式: C22H26N2O 分子量: 334.46IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamideSMILES: CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3InChIKey: HDOIPCLEKCEANF-UHFFFAOYSA-NInChI: InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
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ADX-47273CAS号 : 851881-60-2(DMSO)分子式: C20H17F2N3O2 分子量: 369.36SMILES: FC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(F)C=C4
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CTEP (RO4956371)CAS号 : 871362-31-1(DMSO)分子式: C19H13ClF3N3O 分子量: 391.77SMILES: CC1=NC(=C(C)[N]1C2=CC=C(OC(F)(F)F)C=C2)C#CC3=CC=NC(=C3)Cl
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VU 0357121CAS号 : 433967-28-3(DMSO)分子式: C17H17F2NO2 分子量: 305.32SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC2=C(F)C=C(F)C=C2
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西那卡塞CAS号 : 226256-56-0(DMSO) Compound CID : 156419分子式: C22H22F3N 分子量: 357.41IUPAC Name: N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amineSMILES: CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)FInChIKey: VDHAWDNDOKGFTD-MRXNPFEDSA-NInChI: InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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HTL14242CAS号 : 1644645-32-8(DMSO)分子式: C16H8ClFN4 分子量: 310.71SMILES: C1=CC(=NC=C1F)C2=CC(=NC=N2)C3=CC(=CC(=C3)C#N)Cl
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HTL14242CAS号 : 1644645-32-8 Compound CID : 86763358分子式: C16H8ClFN4 分子量: 310.71IUPAC Name: 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrileSMILES: C1=CC(=NC=C1F)C2=CC(=NC=N2)C3=CC(=CC(=C3)C#N)ClInChIKey: FQAXDSVNYVVQSE-UHFFFAOYSA-NInChI: InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
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