General Information of the Compound
| Compound ID |
CP0845517
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| Compound Name |
(3R,4R,5S)-1-{[(3S,4R)-1-tert-Butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-4-(3,4-difluorophenyl)-3,5-dimethylpiperidin-4-ol Hydrochloride
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| Formula |
C28H35ClF4N2O2
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| Molecular Weight |
543.045
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| Canonical SMILES |
C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(F)c(F)c1.Cl
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| InChI |
InChI=1S/C28H34F4N2O2.ClH/c1-16-12-33(13-17(2)28(16,36)18-6-9-23(30)25(32)10-18)26(35)22-15-34(27(3,4)5)14-21(22)20-8-7-19(29)11-24(20)31;/h6-11,16-17,21-22,36H,12-15H2,1-5H3;1H/t16-,17+,21-,22+,28-;/m0./s1
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| InChIKey |
LMHPXVBYBHJRRF-ZXIYWMFXSA-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