General Information of the Compound
| Compound ID |
CP0008583
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| Compound Name |
1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
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| Structure |
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| Formula |
C33H34N2O
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| Molecular Weight |
474.648
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| Canonical SMILES |
Cc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H34N2O/c1-26-17-19-30(20-18-26)33(29-15-9-4-10-16-29)35-23-21-34(22-24-35)32(36)25-31(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-20,31,33H,21-25H2,1H3
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| InChIKey |
PVJNWPXQHNFPOR-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