General Information of the Compound
| Compound ID |
CP0888290
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| Compound Name |
1-{4-[(4-tert-Butyl-phenyl)-phenyl-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
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| Structure |
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| Formula |
C36H40N2O
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| Molecular Weight |
516.729
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| Canonical SMILES |
CC(C)(C)c1ccc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C36H40N2O/c1-36(2,3)32-21-19-31(20-22-32)35(30-17-11-6-12-18-30)38-25-23-37(24-26-38)34(39)27-33(28-13-7-4-8-14-28)29-15-9-5-10-16-29/h4-22,33,35H,23-27H2,1-3H3
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| InChIKey |
KJKQQWDHZCWYRN-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