General Information of the Compound
| Compound ID |
CP0957064
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| Compound Name |
1-[3-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
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| Structure |
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| Formula |
C33H36N2O3
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| Molecular Weight |
508.662
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC(O)COc2cccc(C(=O)CCc3cccc4ccccc34)c2)CC1
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| InChI |
InChI=1S/C33H36N2O3/c1-25-8-2-5-15-32(25)35-20-18-34(19-21-35)23-29(36)24-38-30-13-7-12-28(22-30)33(37)17-16-27-11-6-10-26-9-3-4-14-31(26)27/h2-15,22,29,36H,16-21,23-24H2,1H3
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| InChIKey |
FNKPBTWMGVIQGL-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