General Information of the Compound
| Compound ID |
CP0576873
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| Compound Name |
3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
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| Structure |
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| Formula |
C22H22ClFN4O
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| Molecular Weight |
412.896
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| Canonical SMILES |
FCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C22H22ClFN4O/c23-16-3-6-19-15(11-16)12-18(26(19)10-2-1-8-24)14-27-21-13-25-9-7-20(21)28(22(27)29)17-4-5-17/h3,6-7,9,11-13,17H,1-2,4-5,8,10,14H2
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| InChIKey |
CYNPQKZIFRFIFF-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