小分子和化合物库
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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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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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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AmpalexCAS号 : 154235-83-3 Compound CID : 148184分子式: C14H15N3O 分子量: 241.29IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-NInChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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CX 546CAS号 : 215923-54-9(DMSO) Compound CID : 2890分子式: C14H17NO3 分子量: 247.29IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3InChIKey: LJUNPHMOGNFFOS-UHFFFAOYSA-NInChI: InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
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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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IDRA-21CAS号 : 22503-72-6(DMSO) Compound CID : 3688分子式: C8H9ClN2O2S 分子量: 232.69IUPAC Name: 7-chloro-3-methyl-3,4-dihydro-2H-1位6,2,4-benzothiadiazine 1,1-dioxideSMILES: CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1InChIKey: VZRNTCHTJRLTMU-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
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