General Information of the Compound
| Compound ID |
CP0406485
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| Compound Name |
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-cyclohexyl-phenyl)-amide
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| Structure |
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| Formula |
C22H27ClN4O
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| Molecular Weight |
398.938
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| Canonical SMILES |
Clc1cccnc1N1CCN(CC1)C(=O)Nc1ccc(cc1)C1CCCCC1
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| InChI |
InChI=1S/C22H27ClN4O/c23-20-7-4-12-24-21(20)26-13-15-27(16-14-26)22(28)25-19-10-8-18(9-11-19)17-5-2-1-3-6-17/h4,7-12,17H,1-3,5-6,13-16H2,(H,25,28)
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| InChIKey |
ONOUWLLRHWAQPM-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