General Information of the Compound
| Compound ID |
CP0544784
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| Compound Name |
3-chloro-N-[2-chloro-5-[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]pyridin-3-yl]benzamide
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| Structure |
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| Formula |
C22H16Cl2N4OS
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| Molecular Weight |
455.37
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| Canonical SMILES |
Clc1cccc(c1)C(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC3CC3)sc2c1
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| InChI |
InChI=1S/C22H16Cl2N4OS/c23-15-3-1-2-13(8-15)21(29)27-18-9-14(11-25-20(18)24)12-4-7-17-19(10-12)30-22(28-17)26-16-5-6-16/h1-4,7-11,16H,5-6H2,(H,26,28)(H,27,29)
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| InChIKey |
IACDQKWPLBPDSV-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