General Information of the Compound
| Compound ID |
CP0516719
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| Compound Name |
N-[(1R)-1-[5-chloro-6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]-2-phenylethyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C23H20ClN5OS
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| Molecular Weight |
449.967
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| Canonical SMILES |
Cc1ccc(Nc2ncc(cc2Cl)[C@@H](Cc2ccccc2)NC(=O)c2nccs2)cn1
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| InChI |
InChI=1S/C23H20ClN5OS/c1-15-7-8-18(14-26-15)28-21-19(24)12-17(13-27-21)20(11-16-5-3-2-4-6-16)29-22(30)23-25-9-10-31-23/h2-10,12-14,20H,11H2,1H3,(H,27,28)(H,29,30)/t20-/m1/s1
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| InChIKey |
JZJLCLDQBJRTGH-HXUWFJFHSA-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