General Information of the Compound
| Compound ID |
CP0046756
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| Compound Name |
(S)-N-(4-(2-(4-(3-(dimethylamino)pyrrolidine-1-carbonyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C37H30F4N6O3S
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| Molecular Weight |
714.745
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)C(=O)c1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C37H30F4N6O3S/c1-45(2)26-15-17-46(21-26)36(49)23-10-8-22(9-11-23)32-19-29-33(51-32)31(14-16-42-29)50-30-13-12-24(18-28(30)38)44-35(48)27-20-43-47(34(27)37(39,40)41)25-6-4-3-5-7-25/h3-14,16,18-20,26H,15,17,21H2,1-2H3,(H,44,48)/t26-/m0/s1
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| InChIKey |
LOYACYJWFBZPCW-SANMLTNESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound