General Information of the Compound
| Compound ID |
CP0391024
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| Compound Name |
((3S,4R,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)methanone
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| Formula |
C24H26F4N2O2
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| Molecular Weight |
450.476
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)c(F)c1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
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| InChI |
InChI=1S/C24H26F4N2O2/c1-13-11-30(12-14(2)24(13,32)15-3-6-20(26)22(28)7-15)23(31)19-10-29-9-18(19)17-5-4-16(25)8-21(17)27/h3-8,13-14,18-19,29,32H,9-12H2,1-2H3/t13-,14+,18-,19+,24-/m0/s1
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| InChIKey |
FHCVSUWWTUKUEF-FEYUIWKASA-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