General Information of the Compound
| Compound ID |
CP0405733
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| Compound Name |
2-benzyl-4-(2-hydroxy-3-(piperidin-1-yl)propoxy)-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
OC(COc1cccc2C(=O)C(Cc3ccccc3)Cc12)CN1CCCCC1
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| InChI |
InChI=1S/C24H29NO3/c26-20(16-25-12-5-2-6-13-25)17-28-23-11-7-10-21-22(23)15-19(24(21)27)14-18-8-3-1-4-9-18/h1,3-4,7-11,19-20,26H,2,5-6,12-17H2
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| InChIKey |
DITMQNKAIRJEEF-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