General Information of the Compound
| Compound ID |
CP0509278
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| Compound Name |
(S)-2-((3,3-dimethyl-4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)methyl)-1-methyl-1H-imidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C22H25F3N4
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| Molecular Weight |
402.464
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| Canonical SMILES |
Cn1c(CN2CC[C@@H](c3ccc(cc3)C(F)(F)F)C(C)(C)C2)nc2ncccc12
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| InChI |
InChI=1S/C22H25F3N4/c1-21(2)14-29(13-19-27-20-18(28(19)3)5-4-11-26-20)12-10-17(21)15-6-8-16(9-7-15)22(23,24)25/h4-9,11,17H,10,12-14H2,1-3H3/t17-/m0/s1
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| InChIKey |
KHCXQMDIHQPUSZ-KRWDZBQOSA-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