General Information of the Compound
| Compound ID |
CP0845518
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| Compound Name |
(3R,4R,5S)-1-{[(3S,4R)-1-tert-Butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-piperidin-4-ol Hydrochloride
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| Formula |
C29H36ClF5N2O2
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| Molecular Weight |
575.062
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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(C(F)(F)F)cc1.Cl
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| InChI |
InChI=1S/C29H35F5N2O2.ClH/c1-17-13-35(14-18(2)28(17,38)19-6-8-20(9-7-19)29(32,33)34)26(37)24-16-36(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31;/h6-12,17-18,23-24,38H,13-16H2,1-5H3;1H/t17-,18+,23-,24+,28-;/m0./s1
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| InChIKey |
ZQSRNCABSWCYLA-PGTWOVJDSA-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