General Information of the Compound
| Compound ID |
CP0493098
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| Compound Name |
(4R,5S)-2-Acetyl-5-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)octahydro-1H-isoindole
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| Structure |
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| Formula |
C26H26F7NO2
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| Molecular Weight |
517.485
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H26F7NO2/c1-14(18-9-19(25(28,29)30)11-20(10-18)26(31,32)33)36-23-8-5-17-12-34(15(2)35)13-22(17)24(23)16-3-6-21(27)7-4-16/h3-4,6-7,9-11,14,17,22-24H,5,8,12-13H2,1-2H3/t14-,17-,22-,23+,24+/m1/s1
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| InChIKey |
QOJWQWHTTQNBIU-JONXPCGESA-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