General Information of the Compound
| Compound ID |
CP0444392
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| Compound Name |
1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy)-5-methylphenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C30H36N2O3
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| Molecular Weight |
472.629
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| Canonical SMILES |
Cc1ccc(OCC(O)CN2CCN(CC2)c2ccccc2C)c(c1)C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C30H36N2O3/c1-23-12-15-30(27(20-23)29(34)14-13-25-9-4-3-5-10-25)35-22-26(33)21-31-16-18-32(19-17-31)28-11-7-6-8-24(28)2/h3-12,15,20,26,33H,13-14,16-19,21-22H2,1-2H3
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| InChIKey |
JEEAPPYCETWERX-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