General Information of the Compound
| Compound ID |
CP0398094
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| Compound Name |
4-[(1S,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C16H17F3N2O
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| Molecular Weight |
310.319
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| Canonical SMILES |
CC1(O)C[C@@H]2CC[C@@H](C1)N2c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H17F3N2O/c1-15(22)7-12-4-5-13(8-15)21(12)11-3-2-10(9-20)14(6-11)16(17,18)19/h2-3,6,12-13,22H,4-5,7-8H2,1H3/t12-,13-/m0/s1
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| InChIKey |
YUQNMRLJWKHDHY-STQMWFEESA-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