General Information of the Compound
| Compound ID |
CP0544132
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| Compound Name |
N-[(R)-[5-chloro-6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C22H24ClN5OS
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| Molecular Weight |
441.988
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| Canonical SMILES |
Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCCC2)cn1
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| InChI |
InChI=1S/C22H24ClN5OS/c1-14-7-8-17(13-25-14)27-20-18(23)11-16(12-26-20)19(15-5-3-2-4-6-15)28-21(29)22-24-9-10-30-22/h7-13,15,19H,2-6H2,1H3,(H,26,27)(H,28,29)/t19-/m1/s1
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| InChIKey |
KLJGHEAFIHJOQP-LJQANCHMSA-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