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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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AZD4547CAS号 : 1035270-39-3(DMSO)分子式: C26H33N5O3 分子量: 463.57SMILES: COC1=CC(=CC(=C1)OC)CCC2=CC(=N[NH]2)NC(=O)C3=CC=C(C=C3)N4CC(C)NC(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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Erdafitinib (JNJ-42756493)CAS号 : 1346242-81-6(DMSO)分子式: C25H30N6O2 分子量: 446.54SMILES: COC1=CC(=CC(=C1)N(CCNC(C)C)C2=CC3=NC(=CN=C3C=C2)C4=C[N](C)N=C4)OC
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Nintedanib (BIBF 1120)CAS号 : 656247-17-5(DMSO)分子式: C31H33N5O4 分子量: 539.62SMILES: COC(=O)C1=CC=C\2C(=C1)NC(=O)C2=C(NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)/C5=CC=CC=C5
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Ponatinib (AP24534)CAS号 : 943319-70-8(DMSO)分子式: C29H27F3N6O 分子量: 532.56SMILES: CN1CCN(CC1)CC2=C(C=C(NC(=O)C3=CC(=C(C)C=C3)C#CC4=CN=C5C=CC=N[N]45)C=C2)C(F)(F)F
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TAE684 (NVP-TAE684)CAS号 : 761439-42-3(DMSO)分子式: C30H40ClN7O3S 分子量: 614.2SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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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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BLU-9931CAS号 : 1538604-68-0 Compound CID : 72710839分子式: C26H22Cl2N4O3 分子量: 509.384IUPAC Name: N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methylphenyl]prop-2-enamideSMILES: CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=C3C=C(C=CC3=N2)C4=C(C(=CC(=C4Cl)OC)OC)ClInChIKey: TXEBNKKOLVBTFK-UHFFFAOYSA-NInChI: InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)
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BGJ398 (NVP-BGJ398)CAS号 : 872511-34-7 Compound CID : 53235510分子式: C26H31Cl2N7O3 分子量: 560.48IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylureaSMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)ClInChIKey: QADPYRIHXKWUSV-UHFFFAOYSA-NInChI: InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
