General Information of the Compound
| Compound ID |
CP0494961
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| Compound Name |
N-[5-(2,6-dichlorobenzoyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-4-yl]acetamide
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| Structure |
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| Formula |
C23H23Cl2N5O2S
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| Molecular Weight |
504.443
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(NC(C)=O)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C23H23Cl2N5O2S/c1-14(31)26-22-21(20(32)19-17(24)4-3-5-18(19)25)33-23(28-22)27-15-6-8-16(9-7-15)30-12-10-29(2)11-13-30/h3-9H,10-13H2,1-2H3,(H,26,31)(H,27,28)
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| InChIKey |
ZQXIMAIEMUSYSB-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