General Information of the Compound
| Compound ID |
CP0502504
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| Compound Name |
1-(2-(2-hydroxy-3-(4-(3-methoxyphenyl)piperazin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
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| InChI |
InChI=1S/C29H34N2O4/c1-34-26-11-7-10-24(20-26)31-18-16-30(17-19-31)21-25(32)22-35-29-13-6-5-12-27(29)28(33)15-14-23-8-3-2-4-9-23/h2-13,20,25,32H,14-19,21-22H2,1H3
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| InChIKey |
UQZZDTTUUIAATR-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