General Information of the Compound
| Compound ID |
CP0398096
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| Compound Name |
4-[(1S,5S)-3-(benzylamino)-8-azabicyclo[3.2.1]octan-8-yl]-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C22H22F3N3
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| Molecular Weight |
385.433
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1[C@H]2CC[C@H]1CC(C2)NCc1ccccc1
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| InChI |
InChI=1S/C22H22F3N3/c23-22(24,25)21-12-20(7-6-16(21)13-26)28-18-8-9-19(28)11-17(10-18)27-14-15-4-2-1-3-5-15/h1-7,12,17-19,27H,8-11,14H2/t18-,19-/m0/s1
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| InChIKey |
YCHHAJNXUVOIHV-OALUTQOASA-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