General Information of the Compound
| Compound ID |
CP0429978
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| Compound Name |
2-chloro-5-(6-cyanopyridin-2-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide
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| Structure |
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| Formula |
C21H22ClN3O2
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| Molecular Weight |
383.879
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| Canonical SMILES |
OC1(CNC(=O)c2cc(ccc2Cl)-c2cccc(n2)C#N)CCCCCC1
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| InChI |
InChI=1S/C21H22ClN3O2/c22-18-9-8-15(19-7-5-6-16(13-23)25-19)12-17(18)20(26)24-14-21(27)10-3-1-2-4-11-21/h5-9,12,27H,1-4,10-11,14H2,(H,24,26)
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| InChIKey |
CTINQCBBNYRHAA-UHFFFAOYSA-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