General Information of the Compound
| Compound ID |
CP0921849
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| Compound Name |
1-{4-[(4-Hydroxy-3,5-dimethoxy-phenyl)-phenyl-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
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| Structure |
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| Formula |
C34H36N2O4
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| Molecular Weight |
536.672
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| Canonical SMILES |
COc1cc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1O
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| InChI |
InChI=1S/C34H36N2O4/c1-39-30-22-28(23-31(40-2)34(30)38)33(27-16-10-5-11-17-27)36-20-18-35(19-21-36)32(37)24-29(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,22-23,29,33,38H,18-21,24H2,1-2H3
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| InChIKey |
NFYVOJWAPAHSGP-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