General Information of the Compound
| Compound ID |
CP0474761
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| Compound Name |
2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
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| Structure |
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| Formula |
C18H21N3O2
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| Molecular Weight |
311.385
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| Canonical SMILES |
O=C(Cc1ccccc1)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C18H21N3O2.ClH/c22-18(11-15-5-2-1-3-6-15)21-10-9-20-12-16(21)14-23-17-7-4-8-19-13-17;/h1-8,13,16,20H,9-12,14H2;1H
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| InChIKey |
ANTMKBNLKOIZAM-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