General Information of the Compound
| Compound ID |
CP0452683
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| Compound Name |
2-(3-benzamidophenyl)-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C28H28N6O2S
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| Molecular Weight |
512.639
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccccc3)c2)cc1
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| InChI |
InChI=1S/C28H28N6O2S/c1-33-14-16-34(17-15-33)23-12-10-21(11-13-23)30-26-24(25(29)35)37-28(32-26)20-8-5-9-22(18-20)31-27(36)19-6-3-2-4-7-19/h2-13,18,30H,14-17H2,1H3,(H2,29,35)(H,31,36)
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| InChIKey |
KMTWOJZBZLIICH-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