General Information of the Compound
| Compound ID |
CP0539190
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| Compound Name |
1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
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| Structure |
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| Formula |
C21H20F3N5O
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| Molecular Weight |
415.419
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| Canonical SMILES |
FC(F)(F)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
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| InChI |
InChI=1S/C21H20F3N5O/c22-21(23,24)6-1-9-27-16(10-14-11-25-7-4-17(14)27)13-28-19-12-26-8-5-18(19)29(20(28)30)15-2-3-15/h4-5,7-8,10-12,15H,1-3,6,9,13H2
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| InChIKey |
ZHFKSLVRVDLBKO-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