General Information of the Compound
| Compound ID |
CP0014910
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| Compound Name |
(4-methoxyphenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
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| Structure |
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| Formula |
C18H21N3O4
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| Molecular Weight |
343.383
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| Canonical SMILES |
COc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
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| InChI |
InChI=1S/C18H21N3O4.ClH/c1-23-15-4-6-16(7-5-15)25-18(22)21-10-9-20-11-14(21)13-24-17-3-2-8-19-12-17;/h2-8,12,14,20H,9-11,13H2,1H3;1H
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| InChIKey |
CBIFADZHFPXCGB-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