General Information of the Compound
| Compound ID |
CP0484533
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| Compound Name |
N-[(1R)-1-[5-chloro-6-[(6-fluoropyridin-3-yl)amino]pyridin-3-yl]butyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C18H17ClFN5OS
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| Molecular Weight |
405.886
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(F)nc2)c(Cl)c1
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| InChI |
InChI=1S/C18H17ClFN5OS/c1-2-3-14(25-17(26)18-21-6-7-27-18)11-8-13(19)16(23-9-11)24-12-4-5-15(20)22-10-12/h4-10,14H,2-3H2,1H3,(H,23,24)(H,25,26)/t14-/m1/s1
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| InChIKey |
WVUWGBPQSNOYEU-CQSZACIVSA-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