General Information of the Compound
| Compound ID |
CP0905631
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| Compound Name |
(3aS,7aS)-N-(3,5-bis(trifluoromethyl)phenyl)-2-(2,6-dimethylphenyl)-1-oxo-2,3,3a,4,7,7a-hexahydro-1H-isoindole-3a-carboxamide
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| Structure |
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| Formula |
C25H22F6N2O2
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| Molecular Weight |
496.451
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@]2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC=CC[C@@H]2C1=O
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| InChI |
InChI=1S/C25H22F6N2O2/c1-14-6-5-7-15(2)20(14)33-13-23(9-4-3-8-19(23)21(33)34)22(35)32-18-11-16(24(26,27)28)10-17(12-18)25(29,30)31/h3-7,10-12,19H,8-9,13H2,1-2H3,(H,32,35)/t19-,23-/m1/s1
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| InChIKey |
HDBGYYQQPDTCQA-AUSIDOKSSA-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