General Information of the Compound
| Compound ID |
CP0930856
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| Compound Name |
(1S,5S)-N-(3,5-bis(trifluoromethyl)phenyl)-3-(2,6-dimethylphenyl)-4-oxo-3-azabicyclo[3.2.0]heptane-1-carboxamide
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| Structure |
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| Formula |
C23H20F6N2O2
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| Molecular Weight |
470.413
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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[C@@H]2C1=O
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| InChI |
InChI=1S/C23H20F6N2O2/c1-12-4-3-5-13(2)18(12)31-11-21(7-6-17(21)19(31)32)20(33)30-16-9-14(22(24,25)26)8-15(10-16)23(27,28)29/h3-5,8-10,17H,6-7,11H2,1-2H3,(H,30,33)/t17-,21-/m1/s1
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| InChIKey |
PCZVNPSTHPEQLD-DYESRHJHSA-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