General Information of the Compound
| Compound ID |
CP0475196
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| Compound Name |
2-benzyl-7-(3-(4-(2,4-dimethylphenyl)piperazin-1-yl)-2-hydroxypropoxy)-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C31H36N2O3
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| Molecular Weight |
484.64
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| Canonical SMILES |
Cc1ccc(N2CCN(CC(O)COc3cccc4CC(Cc5ccccc5)C(=O)c34)CC2)c(C)c1
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| InChI |
InChI=1S/C31H36N2O3/c1-22-11-12-28(23(2)17-22)33-15-13-32(14-16-33)20-27(34)21-36-29-10-6-9-25-19-26(31(35)30(25)29)18-24-7-4-3-5-8-24/h3-12,17,26-27,34H,13-16,18-21H2,1-2H3
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| InChIKey |
GRSVKUQNILOHQT-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