General Information of the Compound
| Compound ID |
CP0957076
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| Compound Name |
(2R)-1-[2-[(1S)-1-methoxy-3-phenylpropyl]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
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| Structure |
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| Formula |
C30H38N2O3
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| Molecular Weight |
474.645
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| Canonical SMILES |
CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2C)CC1
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| InChI |
InChI=1S/C30H38N2O3/c1-24-10-6-8-14-28(24)32-20-18-31(19-21-32)22-26(33)23-35-30-15-9-7-13-27(30)29(34-2)17-16-25-11-4-3-5-12-25/h3-15,26,29,33H,16-23H2,1-2H3/t26-,29+/m1/s1
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| InChIKey |
COXLIDDYONYAPE-UHSQPCAPSA-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