General Information of the Compound
| Compound ID |
CP0504289
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| Compound Name |
4-((3S,4R,5R)-1-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)-4-hydroxy-3,5-dimethylpiperidin-4-yl)benzonitrile
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| Formula |
C29H35F2N3O2
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| Molecular Weight |
495.614
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(cc1)C#N)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
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| InChI |
InChI=1S/C29H35F2N3O2/c1-18-14-33(15-19(2)29(18,36)21-8-6-20(13-32)7-9-21)27(35)25-17-34(28(3,4)5)16-24(25)23-11-10-22(30)12-26(23)31/h6-12,18-19,24-25,36H,14-17H2,1-5H3/t18-,19+,24-,25+,29-/m0/s1
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| InChIKey |
OMZIXPUSHWZJEN-XUFVMKAASA-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