General Information of the Compound
| Compound ID |
CP0524036
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| Compound Name |
1-[(2R,5R)-5-benzyl-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2,2-diphenylethanone
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| Structure |
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| Formula |
C33H33FN2O
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| Molecular Weight |
492.638
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H33FN2O/c1-25-22-35(23-27-17-19-30(34)20-18-27)31(21-26-11-5-2-6-12-26)24-36(25)33(37)32(28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-20,25,31-32H,21-24H2,1H3/t25-,31-/m1/s1
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| InChIKey |
JPSGGXVZHLHPQB-OOWIMERYSA-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