General Information of the Compound
| Compound ID |
CP0378416
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| Compound Name |
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-2-methylpropan-1-one
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| Structure |
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| Formula |
C24H24F7NO2
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| Molecular Weight |
491.447
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| Canonical SMILES |
CC(C)C(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H24F7NO2/c1-13(2)22(33)32-11-20(15-4-6-19(25)7-5-15)21(12-32)34-14(3)16-8-17(23(26,27)28)10-18(9-16)24(29,30)31/h4-10,13-14,20-21H,11-12H2,1-3H3/t14-,20+,21-/m1/s1
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| InChIKey |
YOAWUGWNCOBDAL-PUCZYUMASA-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