General Information of the Compound
| Compound ID |
CP0563581
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| Compound Name |
2-[3-[(4-chlorobenzoyl)amino]phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C28H27ClN6O2S
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| Molecular Weight |
547.084
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1
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| InChI |
InChI=1S/C28H27ClN6O2S/c1-34-13-15-35(16-14-34)23-11-9-21(10-12-23)31-26-24(25(30)36)38-28(33-26)19-3-2-4-22(17-19)32-27(37)18-5-7-20(29)8-6-18/h2-12,17,31H,13-16H2,1H3,(H2,30,36)(H,32,37)
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| InChIKey |
ARDUZDTXVHZCGJ-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