General Information of the Compound
| Compound ID |
CP0902356
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| Compound Name |
1-[2-[(2R)-3-(3,3-diphenylpropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
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| Structure |
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| Formula |
C27H31NO3
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| Molecular Weight |
417.549
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| Canonical SMILES |
CCC(=O)c1ccccc1OC[C@H](O)CNCCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H31NO3/c1-2-26(30)25-15-9-10-16-27(25)31-20-23(29)19-28-18-17-24(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,23-24,28-29H,2,17-20H2,1H3/t23-/m1/s1
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| InChIKey |
JEDQZOXVYJBREO-HSZRJFAPSA-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