General Information of the Compound
| Compound ID |
CP0915090
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| Compound Name |
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-[(1S)-1-methoxy-3-phenylpropyl]phenoxy]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(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C30H38N2O3/c1-34-29(17-16-25-10-4-2-5-11-25)28-14-8-9-15-30(28)35-24-27(33)23-32-20-18-31(19-21-32)22-26-12-6-3-7-13-26/h2-15,27,29,33H,16-24H2,1H3/t27-,29+/m1/s1
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| InChIKey |
CAJSNYQTDICQJO-PXJZQJOASA-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