General Information of the Compound
| Compound ID |
CP0452964
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| Compound Name |
N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]pyridin-3-yl]butyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C17H18ClN5OS2
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| Molecular Weight |
407.952
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1
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| InChI |
InChI=1S/C17H18ClN5OS2/c1-3-4-13(22-16(24)17-19-5-6-25-17)11-7-12(18)15(21-8-11)23-14-9-20-10(2)26-14/h5-9,13H,3-4H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
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| InChIKey |
LEQMVFLCHQFJKY-CYBMUJFWSA-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