General Information of the Compound
| Compound ID |
CP0845535
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| Compound Name |
2-Biphenyl-4-yl-1-[4-(1-ethyl-propyl)-piperazin-1-yl]-ethanone hydrochloride
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| Structure |
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| Formula |
C23H31ClN2O
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| Molecular Weight |
386.967
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| Canonical SMILES |
CCC(CC)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1.Cl
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| InChI |
InChI=1S/C23H30N2O.ClH/c1-3-22(4-2)24-14-16-25(17-15-24)23(26)18-19-10-12-21(13-11-19)20-8-6-5-7-9-20;/h5-13,22H,3-4,14-18H2,1-2H3;1H
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| InChIKey |
VGBPKALZGZPCGA-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