General Information of the Compound
| Compound ID |
CP0527234
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| Compound Name |
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-sec-butyl-phenyl)-amide
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| Structure |
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| Formula |
C20H25ClN4O
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| Molecular Weight |
372.9
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| Canonical SMILES |
CCC(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
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| InChI |
InChI=1S/C20H25ClN4O/c1-3-15(2)16-6-8-17(9-7-16)23-20(26)25-13-11-24(12-14-25)19-18(21)5-4-10-22-19/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
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| InChIKey |
JLORNYFSIRZGRX-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