General Information of the Compound
| Compound ID |
CP0452681
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| Compound Name |
4-[4-(4-methylpiperazin-1-yl)anilino]-2-[3-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C29H27F3N6O2S
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| Molecular Weight |
580.636
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(cc3)C(F)(F)F)c2)cc1
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| InChI |
InChI=1S/C29H27F3N6O2S/c1-37-13-15-38(16-14-37)23-11-9-21(10-12-23)34-26-24(25(33)39)41-28(36-26)19-3-2-4-22(17-19)35-27(40)18-5-7-20(8-6-18)29(30,31)32/h2-12,17,34H,13-16H2,1H3,(H2,33,39)(H,35,40)
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| InChIKey |
WRWKGLJNJMFWDC-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