General Information of the Compound
| Compound ID |
CP0526514
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| Compound Name |
1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carbonyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C28H29F7N2O3
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| Molecular Weight |
574.537
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H29F7N2O3/c1-16(20-11-21(27(30,31)32)13-22(12-20)28(33,34)35)40-25-15-37(14-24(25)18-3-5-23(29)6-4-18)26(39)19-7-9-36(10-8-19)17(2)38/h3-6,11-13,16,19,24-25H,7-10,14-15H2,1-2H3/t16-,24+,25-/m1/s1
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| InChIKey |
GTJAXMPCMWVBOY-VFRFXQOFSA-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