General Information of the Compound
| Compound ID |
CP0441002
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| Compound Name |
(6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
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| Structure |
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| Formula |
C23H21F7N2O2
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| Molecular Weight |
490.419
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2[C@@H](CN(C)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H21F7N2O2/c1-12(14-7-15(22(25,26)27)9-16(8-14)23(28,29)30)34-19-11-32-18(10-31(2)21(32)33)20(19)13-3-5-17(24)6-4-13/h3-9,12,18-20H,10-11H2,1-2H3/t12-,18+,19+,20+/m1/s1
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| InChIKey |
WKRDVSIKEVMSAS-FBUPISGDSA-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