General Information of the Compound
| Compound ID |
CP0444917
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| Compound Name |
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-N-methylpyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C22H21F7N2O2
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| Molecular Weight |
478.408
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| Canonical SMILES |
CNC(=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/C22H21F7N2O2/c1-12(14-7-15(21(24,25)26)9-16(8-14)22(27,28)29)33-19-11-31(20(32)30-2)10-18(19)13-3-5-17(23)6-4-13/h3-9,12,18-19H,10-11H2,1-2H3,(H,30,32)/t12-,18+,19-/m1/s1
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| InChIKey |
YZIXWJUXWVWKFY-ZUSMLRIVSA-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