General Information of the Compound
| Compound ID |
CP0530517
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| Compound Name |
N-[(1R)-1-[5-chloro-6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]-2,2-dimethylpropyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C20H22ClN5OS
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| Molecular Weight |
415.95
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| Canonical SMILES |
Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C(C)(C)C)cn1
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| InChI |
InChI=1S/C20H22ClN5OS/c1-12-5-6-14(11-23-12)25-17-15(21)9-13(10-24-17)16(20(2,3)4)26-18(27)19-22-7-8-28-19/h5-11,16H,1-4H3,(H,24,25)(H,26,27)/t16-/m0/s1
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| InChIKey |
ZSBRNBKGSNMERU-INIZCTEOSA-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