General Information of the Compound
| Compound ID |
CP0859527
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| Compound Name |
(3R,4R,5S)-1-{[(3S,4R)-1-tert-Butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-4-(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol Hydrochloride
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| Formula |
C29H39ClF2N2O3
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| Molecular Weight |
537.091
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| Canonical SMILES |
COc1ccc([C@@]2(O)[C@H](C)CN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)C[C@@H]2C)cc1.Cl
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| InChI |
InChI=1S/C29H38F2N2O3.ClH/c1-18-14-32(15-19(2)29(18,35)20-7-10-22(36-6)11-8-20)27(34)25-17-33(28(3,4)5)16-24(25)23-12-9-21(30)13-26(23)31;/h7-13,18-19,24-25,35H,14-17H2,1-6H3;1H/t18-,19+,24-,25+,29-;/m0./s1
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| InChIKey |
JQMUIVORJFXTCQ-ABAVEVQTSA-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