General Information of the Compound
| Compound ID |
CP0942743
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| Compound Name |
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol
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| Structure |
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| Formula |
C29H35FN2O3
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| Molecular Weight |
478.608
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| Canonical SMILES |
CO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C29H35FN2O3/c1-34-28(16-11-23-7-3-2-4-8-23)27-9-5-6-10-29(27)35-22-26(33)21-31-17-19-32(20-18-31)25-14-12-24(30)13-15-25/h2-10,12-15,26,28,33H,11,16-22H2,1H3/t26-,28-/m1/s1
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| InChIKey |
XCFPLLCIHJYTAQ-IXCJQBJRSA-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