General Information of the Compound
| Compound ID |
CP0451181
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| Compound Name |
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-ethyl-phenyl)-amide
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| Structure |
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| Formula |
C18H21ClN4O
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| Molecular Weight |
344.846
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| Canonical SMILES |
CCc1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
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| InChI |
InChI=1S/C18H21ClN4O/c1-2-14-5-7-15(8-6-14)21-18(24)23-12-10-22(11-13-23)17-16(19)4-3-9-20-17/h3-9H,2,10-13H2,1H3,(H,21,24)
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| InChIKey |
KWEIKCRLKBUIRZ-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