General Information of the Compound
| Compound ID |
CP0383425
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| Compound Name |
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrrolidin-3-yl)((3S,4R,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
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| Formula |
C27H32F4N2O2
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| Molecular Weight |
492.557
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| Canonical SMILES |
CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C27H32F4N2O2/c1-15(2)32-13-21(20-7-6-19(28)10-24(20)30)22(14-32)26(34)33-11-16(3)27(35,17(4)12-33)18-5-8-23(29)25(31)9-18/h5-10,15-17,21-22,35H,11-14H2,1-4H3/t16-,17+,21-,22+,27-/m0/s1
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| InChIKey |
KKFDZFRBUBMBSX-HCRBLMMWSA-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