General Information of the Compound
| Compound ID |
CP0499228
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| Compound Name |
N-(2,4-dimethoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
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| Structure |
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| Formula |
C19H24N4O4
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| Molecular Weight |
372.425
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| Canonical SMILES |
COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)c(OC)c1
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| InChI |
InChI=1S/C19H24N4O4.ClH/c1-25-15-5-6-17(18(10-15)26-2)22-19(24)23-9-8-21-11-14(23)13-27-16-4-3-7-20-12-16;/h3-7,10,12,14,21H,8-9,11,13H2,1-2H3,(H,22,24);1H
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| InChIKey |
AACVZUDANADSGF-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