General Information of the Compound
| Compound ID |
CP0902355
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| Compound Name |
1-[4-[(2R)-3-(3,3-diphenylpropylamino)-2-hydroxypropoxy]phenyl]ethanone
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| Structure |
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| Formula |
C26H29NO3
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| Molecular Weight |
403.522
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| Canonical SMILES |
CC(=O)c1ccc(OC[C@H](O)CNCCC(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H29NO3/c1-20(28)21-12-14-25(15-13-21)30-19-24(29)18-27-17-16-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24,26-27,29H,16-19H2,1H3/t24-/m1/s1
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| InChIKey |
VPBXCBOBPMBDNR-XMMPIXPASA-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