General Information of the Compound
| Compound ID |
CP0944107
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-5-chloro-N-[(5-methylpyrimidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C20H20ClN7OS
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| Molecular Weight |
441.948
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| Canonical SMILES |
Cc1cnc(CNC(=O)c2nc(CCNCc3nc4ccccc4[nH]3)sc2Cl)nc1
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| InChI |
InChI=1S/C20H20ClN7OS/c1-12-8-23-15(24-9-12)11-25-20(29)18-19(21)30-17(28-18)6-7-22-10-16-26-13-4-2-3-5-14(13)27-16/h2-5,8-9,22H,6-7,10-11H2,1H3,(H,25,29)(H,26,27)
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| InChIKey |
LHKQAWKJTFRAKP-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