General Information of the Compound
| Compound ID |
CP0518597
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| Compound Name |
2-[3-[(4-chlorobenzoyl)amino]phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C28H26ClN5O3S
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| Molecular Weight |
548.068
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(O)=O)-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1
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| InChI |
InChI=1S/C28H26ClN5O3S/c1-33-13-15-34(16-14-33)23-11-9-21(10-12-23)30-25-24(28(36)37)38-27(32-25)19-3-2-4-22(17-19)31-26(35)18-5-7-20(29)8-6-18/h2-12,17,30H,13-16H2,1H3,(H,31,35)(H,36,37)
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| InChIKey |
SYUCZRGVEVISNP-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