General Information of the Compound
| Compound ID |
CP0443014
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| Compound Name |
N-[(1R)-1-[5-chloro-6-(pyridin-3-ylamino)pyridin-3-yl]butyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C18H18ClN5OS
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| Molecular Weight |
387.896
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cccnc2)c(Cl)c1
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| InChI |
InChI=1S/C18H18ClN5OS/c1-2-4-15(24-17(25)18-21-7-8-26-18)12-9-14(19)16(22-10-12)23-13-5-3-6-20-11-13/h3,5-11,15H,2,4H2,1H3,(H,22,23)(H,24,25)/t15-/m1/s1
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| InChIKey |
DEASRRJCWRFJGS-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