General Information of the Compound
| Compound ID |
CP0544133
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| Compound Name |
N-[(1R)-1-[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]pyridin-3-yl]butyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C18H19ClN6OS
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| Molecular Weight |
402.911
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)nc2)c(Cl)c1
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| InChI |
InChI=1S/C18H19ClN6OS/c1-3-4-15(25-17(26)18-20-5-6-27-18)12-7-14(19)16(23-8-12)24-13-9-21-11(2)22-10-13/h5-10,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t15-/m1/s1
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| InChIKey |
FNUTVRCUEQPYCW-OAHLLOKOSA-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