General Information of the Compound
| Compound ID |
CP0536132
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| Compound Name |
(6R,7S,7aR)-2-benzyl-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
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| Structure |
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| Formula |
C29H25F7N2O2
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| Molecular Weight |
566.517
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2[C@@H](CN(Cc3ccccc3)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/C29H25F7N2O2/c1-17(20-11-21(28(31,32)33)13-22(12-20)29(34,35)36)40-25-16-38-24(26(25)19-7-9-23(30)10-8-19)15-37(27(38)39)14-18-5-3-2-4-6-18/h2-13,17,24-26H,14-16H2,1H3/t17-,24+,25+,26+/m1/s1
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| InChIKey |
UGDZQVXRBCKAQS-XRNKBYASSA-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