General Information of the Compound
| Compound ID |
CP0452842
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| Compound Name |
N-[(1S,5S)-8-[4-cyano-3-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanesulfonamide
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| Structure |
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| Formula |
C17H20F3N3O2S
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| Molecular Weight |
387.427
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| Canonical SMILES |
CCS(=O)(=O)NC1C[C@@H]2CC[C@@H](C1)N2c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H20F3N3O2S/c1-2-26(24,25)22-12-7-13-5-6-14(8-12)23(13)15-4-3-11(10-21)16(9-15)17(18,19)20/h3-4,9,12-14,22H,2,5-8H2,1H3/t13-,14-/m0/s1
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| InChIKey |
VUSBBKCOXGTGTA-KBPBESRZSA-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