General Information of the Compound
| Compound ID |
CP0534786
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| Compound Name |
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 |
C22H17ClN4OS
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| Molecular Weight |
420.925
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| Canonical SMILES |
Clc1ncc(cc1NC(=O)c1ccccc1)-c1ccc2nc(NC3CC3)sc2c1
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| InChI |
InChI=1S/C22H17ClN4OS/c23-20-18(26-21(28)13-4-2-1-3-5-13)10-15(12-24-20)14-6-9-17-19(11-14)29-22(27-17)25-16-7-8-16/h1-6,9-12,16H,7-8H2,(H,25,27)(H,26,28)
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| InChIKey |
MABJHKMPCZXFBN-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