General Information of the Compound
| Compound ID |
CP0910381
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| Compound Name |
1-[2-[(2R)-3-(benzhydrylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C31H31NO3
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| Molecular Weight |
465.593
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| Canonical SMILES |
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H31NO3/c33-27(22-32-31(25-14-6-2-7-15-25)26-16-8-3-9-17-26)23-35-30-19-11-10-18-28(30)29(34)21-20-24-12-4-1-5-13-24/h1-19,27,31-33H,20-23H2/t27-/m1/s1
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| InChIKey |
KYWRASYTPSAUIR-HHHXNRCGSA-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