General Information of the Compound
| Compound ID |
CP0485546
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| Compound Name |
4-[4-(4-methylpiperazin-1-yl)anilino]-2-[3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C28H26F3N7O2S
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| Molecular Weight |
581.624
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(cn3)C(F)(F)F)c2)cc1
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| InChI |
InChI=1S/C28H26F3N7O2S/c1-37-11-13-38(14-12-37)21-8-6-19(7-9-21)34-25-23(24(32)39)41-27(36-25)17-3-2-4-20(15-17)35-26(40)22-10-5-18(16-33-22)28(29,30)31/h2-10,15-16,34H,11-14H2,1H3,(H2,32,39)(H,35,40)
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| InChIKey |
YERWXCGHNKYZFP-UHFFFAOYSA-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