General Information of the Compound
| Compound ID |
CP0539186
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| Compound Name |
1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
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| Structure |
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| Formula |
C22H25N5O
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| Molecular Weight |
375.476
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| Canonical SMILES |
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cccnc12
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| InChI |
InChI=1S/C22H25N5O/c1-15(2)8-11-25-18(12-16-4-3-9-24-21(16)25)14-26-20-13-23-10-7-19(20)27(22(26)28)17-5-6-17/h3-4,7,9-10,12-13,15,17H,5-6,8,11,14H2,1-2H3
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| InChIKey |
BRYPXPJAPQLAHL-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