General Information of the Compound
| Compound ID |
CP0552266
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| Compound Name |
1-(2-(3-(3,3-diphenylpropylamino)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C33H35NO3
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| Molecular Weight |
493.647
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| Canonical SMILES |
OC(CNCCC(c1ccccc1)c1ccccc1)COc1ccccc1C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C33H35NO3/c35-29(24-34-23-22-30(27-14-6-2-7-15-27)28-16-8-3-9-17-28)25-37-33-19-11-10-18-31(33)32(36)21-20-26-12-4-1-5-13-26/h1-19,29-30,34-35H,20-25H2
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| InChIKey |
BSYXRZZXKDWSGO-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