General Information of the Compound
| Compound ID |
CP0462354
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| Compound Name |
2-[3-[(3-chloro-4-fluorobenzoyl)amino]phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C28H26ClFN6O2S
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| Molecular Weight |
565.074
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(F)c(Cl)c3)c2)cc1
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| InChI |
InChI=1S/C28H26ClFN6O2S/c1-35-11-13-36(14-12-35)21-8-6-19(7-9-21)32-26-24(25(31)37)39-28(34-26)18-3-2-4-20(15-18)33-27(38)17-5-10-23(30)22(29)16-17/h2-10,15-16,32H,11-14H2,1H3,(H2,31,37)(H,33,38)
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| InChIKey |
YEKUKSJVXZCPIK-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