General Information of the Compound
| Compound ID |
CP0043426
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| Compound Name |
1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C22H22F3N5O
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| Molecular Weight |
429.446
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| Canonical SMILES |
Cn1cnc2c(nc(cc12)-c1ccc(OCCCN2CCCC2)c(c1)C(F)(F)F)C#N
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| InChI |
InChI=1S/C22H22F3N5O/c1-29-14-27-21-18(13-26)28-17(12-19(21)29)15-5-6-20(16(11-15)22(23,24)25)31-10-4-9-30-7-2-3-8-30/h5-6,11-12,14H,2-4,7-10H2,1H3
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| InChIKey |
PRKCPVVVFQOIRM-UHFFFAOYSA-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