General Information of the Compound
| Compound ID |
CP0895941
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| Compound Name |
1-{4-[Benzo[1,3]dioxol-5-yl-(4-methoxy-phenyl)-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
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| Structure |
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| Formula |
C34H34N2O4
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| Molecular Weight |
534.656
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| Canonical SMILES |
COc1ccc(C(c2ccc3c(c2)OCO3)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C34H34N2O4/c1-38-29-15-12-27(13-16-29)34(28-14-17-31-32(22-28)40-24-39-31)36-20-18-35(19-21-36)33(37)23-30(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-17,22,30,34H,18-21,23-24H2,1H3
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| InChIKey |
JGEXOFDNNCLSKK-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