General Information of the Compound
| Compound ID |
CP0003399
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| Compound Name |
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
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| Structure |
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| Formula |
C24H24N4O3
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| Molecular Weight |
416.481
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)c1ccccc1)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C24H24N4O3.ClH/c29-23(18-5-2-1-3-6-18)19-8-10-20(11-9-19)27-24(30)28-14-13-26-15-21(28)17-31-22-7-4-12-25-16-22;/h1-12,16,21,26H,13-15,17H2,(H,27,30);1H
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| InChIKey |
ULCUTKYYKKNHQX-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