General Information of the Compound
| Compound ID |
CP0536133
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| Compound Name |
(6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
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| Structure |
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| Formula |
C22H18F7NO3
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| Molecular Weight |
477.376
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| Canonical SMILES |
C[C@@H](O[C@H]1[C@@H]2COC(=O)N2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H18F7NO3/c1-11(13-6-14(21(24,25)26)8-15(7-13)22(27,28)29)33-19-17(12-2-4-16(23)5-3-12)9-30-18(19)10-32-20(30)31/h2-8,11,17-19H,9-10H2,1H3/t11-,17-,18+,19-/m1/s1
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| InChIKey |
DYBBAWOUQNTPAE-CFTLBWQVSA-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