General Information of the Compound
Compound ID |
CP0391023
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Compound Name |
((3S,4R,5R)-4-(4-chlorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
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Formula |
C27H33ClF2N2O2
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Molecular Weight |
491.022
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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(Cl)cc1
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InChI |
InChI=1S/C27H33ClF2N2O2/c1-16(2)31-14-23(22-10-9-21(29)11-25(22)30)24(15-31)26(33)32-12-17(3)27(34,18(4)13-32)19-5-7-20(28)8-6-19/h5-11,16-18,23-24,34H,12-15H2,1-4H3/t17-,18+,23-,24+,27-/m0/s1
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InChIKey |
XXRMXJKLSFNUDJ-KYZOLGBSSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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