General Information of the Compound
| Compound ID |
CP0498974
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| Compound Name |
N-[[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide
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| Structure |
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| Formula |
C29H34FN3O2
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| Molecular Weight |
475.608
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)COc2ccc(F)cc2)C[C@@H](C)N1
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| InChI |
InChI=1S/C29H34FN3O2/c1-21-16-33(17-22(2)31-21)18-23-8-10-24(11-9-23)28-7-5-4-6-25(28)19-32(3)29(34)20-35-27-14-12-26(30)13-15-27/h4-15,21-22,31H,16-20H2,1-3H3/t21-,22+
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| InChIKey |
JAZXUPQDNGHUCB-SZPZYZBQSA-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