General Information of the Compound
| Compound ID |
CP0888289
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| Compound Name |
1-[4-(Benzo[1,3]dioxol-5-yl-phenyl-methyl)-piperazin-1-yl]-3,3-diphenyl-propan-1-one
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| Structure |
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| Formula |
C33H32N2O3
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| Molecular Weight |
504.63
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| Canonical SMILES |
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc3c(c2)OCO3)CC1
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| InChI |
InChI=1S/C33H32N2O3/c36-32(23-29(25-10-4-1-5-11-25)26-12-6-2-7-13-26)34-18-20-35(21-19-34)33(27-14-8-3-9-15-27)28-16-17-30-31(22-28)38-24-37-30/h1-17,22,29,33H,18-21,23-24H2
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| InChIKey |
FESWQOXGVPQZNU-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