General Information of the Compound
| Compound ID |
CP0503963
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| Compound Name |
1-(2-(2-hydroxy-3-(methyl(propyl)amino)propoxy)phenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C22H29NO3
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| Molecular Weight |
355.478
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| Canonical SMILES |
CCCN(C)CC(O)COc1ccccc1C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C22H29NO3/c1-3-15-23(2)16-19(24)17-26-22-12-8-7-11-20(22)21(25)14-13-18-9-5-4-6-10-18/h4-12,19,24H,3,13-17H2,1-2H3
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| InChIKey |
OVJLBHULUOXYFR-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