General Information of the Compound
| Compound ID |
CP0539563
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| Compound Name |
2-[(2S)-4-butyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
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| Structure |
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| Formula |
C23H32N2O
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| Molecular Weight |
352.522
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| Canonical SMILES |
CCCCN1CCN(Cc2ccc(cc2)-c2ccccc2)[C@@H](CCO)C1
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| InChI |
InChI=1S/C23H32N2O/c1-2-3-14-24-15-16-25(23(19-24)13-17-26)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-12,23,26H,2-3,13-19H2,1H3/t23-/m0/s1
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| InChIKey |
ZKZLXHOTVZCCSW-QHCPKHFHSA-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