General Information of the Compound
| Compound ID |
CP0562197
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| Compound Name |
7-(Butyl-ethyl-amino)-1,5-dimethyl-3-phenyl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one
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| Structure |
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| Formula |
C23H31BrN4O
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| Molecular Weight |
459.432
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| Canonical SMILES |
CCCCN(CC)c1cc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12
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| InChI |
InChI=1S/C23H31BrN4O/c1-7-9-12-27(8-2)20-13-16(5)25-22-21(20)26(6)23(29)28(22)19-11-10-17(15(3)4)14-18(19)24/h10-11,13-15H,7-9,12H2,1-6H3
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| InChIKey |
XYZOVIXCLDTSDC-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