General Information of the Compound
| Compound ID |
CP0524235
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| Compound Name |
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)(morpholino)methanone
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| Structure |
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| Formula |
C25H26F6N2O3
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| Molecular Weight |
516.482
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)N1CCOCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H26F6N2O3/c1-16(18-11-19(24(26,27)28)13-20(12-18)25(29,30)31)36-22-15-33(23(34)32-7-9-35-10-8-32)14-21(22)17-5-3-2-4-6-17/h2-6,11-13,16,21-22H,7-10,14-15H2,1H3/t16-,21+,22-/m1/s1
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| InChIKey |
ZNOFAJPWNNWZQC-URZJWIJPSA-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