General Information of the Compound
| Compound ID |
CP0503964
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| Compound Name |
3-(4-chlorophenyl)-1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy)phenyl)propan-1-one
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| Structure |
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| Formula |
C29H33ClN2O3
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| Molecular Weight |
493.047
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C29H33ClN2O3/c1-22-6-2-4-8-27(22)32-18-16-31(17-19-32)20-25(33)21-35-29-9-5-3-7-26(29)28(34)15-12-23-10-13-24(30)14-11-23/h2-11,13-14,25,33H,12,15-21H2,1H3
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| InChIKey |
RQGATCKDMKOCAI-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