General Information of the Compound
| Compound ID |
CP0454127
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| Compound Name |
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
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| Structure |
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| Formula |
C21H18F7NO2
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| Molecular Weight |
449.366
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H18F7NO2/c1-12(14-6-15(20(23,24)25)8-16(7-14)21(26,27)28)31-19-10-29(11-30)9-18(19)13-2-4-17(22)5-3-13/h2-8,11-12,18-19H,9-10H2,1H3/t12-,18+,19-/m1/s1
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| InChIKey |
HPCQUEPOWDHXQR-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