General Information of the Compound
| Compound ID |
CP0910809
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| Compound Name |
(2S)-2-benzyl-7-[(2R)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C30H34N2O4
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| Molecular Weight |
486.612
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| Canonical SMILES |
COc1ccc(N2CCN(C[C@@H](O)COc3cccc4c3C(=O)[C@@H](Cc3ccccc3)C4)CC2)cc1
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| InChI |
InChI=1S/C30H34N2O4/c1-35-27-12-10-25(11-13-27)32-16-14-31(15-17-32)20-26(33)21-36-28-9-5-8-23-19-24(30(34)29(23)28)18-22-6-3-2-4-7-22/h2-13,24,26,33H,14-21H2,1H3/t24-,26+/m0/s1
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| InChIKey |
RLYAQPYQIVXAPN-AZGAKELHSA-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