General Information of the Compound
| Compound ID |
CP0457617
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| Compound Name |
2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C23H31N5O
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| Molecular Weight |
393.535
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| Canonical SMILES |
COc1cccc(Cn2c(CC(C)(C)C)nc3c(ccnc23)N2CCNCC2)c1
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| InChI |
InChI=1S/C23H31N5O/c1-23(2,3)15-20-26-21-19(27-12-10-24-11-13-27)8-9-25-22(21)28(20)16-17-6-5-7-18(14-17)29-4/h5-9,14,24H,10-13,15-16H2,1-4H3
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| InChIKey |
FBCADTQQYOZWAI-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