General Information of the Compound
| Compound ID |
CP0462827
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| Compound Name |
1-methyl-2-(((1R,5S)-3-(4-(trifluoromethyl)phenyl)-8-azabicyclo[3.2.1]octan-8-yl)methyl)-1H-imidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C22H23F3N4
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| Molecular Weight |
400.448
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| Canonical SMILES |
Cn1c(CN2[C@H]3CC[C@@H]2CC(C3)c2ccc(cc2)C(F)(F)F)nc2ncccc12
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| InChI |
InChI=1S/C22H23F3N4/c1-28-19-3-2-10-26-21(19)27-20(28)13-29-17-8-9-18(29)12-15(11-17)14-4-6-16(7-5-14)22(23,24)25/h2-7,10,15,17-18H,8-9,11-13H2,1H3/t15?,17-,18+
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| InChIKey |
IZHSVHBZIDFPRT-ZNXRZULTSA-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