General Information of the Compound
| Compound ID |
CP0232539
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| Compound Name |
1-[(2S,6R)-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,6-dimethylpiperazin-1-yl]-3-phenylpropan-2-ol
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| Structure |
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| Formula |
C30H36F2N2O2S
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| Molecular Weight |
526.693
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| Canonical SMILES |
C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1
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| InChI |
InChI=1S/C30H36F2N2O2S/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-37(36)30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?,37?
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| InChIKey |
JEQFZUJUYZOZAL-PJTSRXMTSA-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