General Information of the Compound
| Compound ID |
CP0530518
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| Compound Name |
N-[(1R)-1-[5-chloro-6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]butyl]-4-methyl-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 |
CCC[C@@H](NC(=O)c1nc(C)cs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
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| InChI |
InChI=1S/C20H22ClN5OS/c1-4-5-17(26-19(27)20-24-13(3)11-28-20)14-8-16(21)18(23-9-14)25-15-7-6-12(2)22-10-15/h6-11,17H,4-5H2,1-3H3,(H,23,25)(H,26,27)/t17-/m1/s1
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| InChIKey |
NCNPWLYEFJWJGR-QGZVFWFLSA-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