General Information of the Compound
| Compound ID |
CP0013586
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| Compound Name |
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
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| Structure |
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| Formula |
C18H21ClN4O3
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| Molecular Weight |
376.844
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| Canonical SMILES |
COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
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| InChI |
InChI=1S/C18H21ClN4O3.ClH/c1-25-17-5-4-13(9-16(17)19)22-18(24)23-8-7-21-10-14(23)12-26-15-3-2-6-20-11-15;/h2-6,9,11,14,21H,7-8,10,12H2,1H3,(H,22,24);1H
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| InChIKey |
YXVBKPDMQWCFGZ-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