General Information of the Compound
| Compound ID |
CP0905120
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| Compound Name |
(2S)-2-benzyl-7-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-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 |
O=C1c2c(cccc2OC[C@H](O)CN2CCCCC2)C[C@@H]1Cc1ccccc1
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| InChI |
InChI=1S/C24H29NO3/c26-21(16-25-12-5-2-6-13-25)17-28-22-11-7-10-19-15-20(24(27)23(19)22)14-18-8-3-1-4-9-18/h1,3-4,7-11,20-21,26H,2,5-6,12-17H2/t20-,21+/m0/s1
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| InChIKey |
FZKYLFTXGOKOLE-LEWJYISDSA-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