General Information of the Compound
| Compound ID |
CP0447284
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| Compound Name |
4-[[2-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
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| Structure |
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| Formula |
C19H13F4N5O
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| Molecular Weight |
403.339
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| Canonical SMILES |
Fc1ccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c2c1F
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| InChI |
InChI=1S/C19H13F4N5O/c20-12-2-1-11-9(5-13(29)26-15(11)14(12)21)8-28-17(10-6-19(22,23)7-10)27-16-18(28)25-4-3-24-16/h1-5,10H,6-8H2,(H,26,29)
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| InChIKey |
ACDZDYRBTXIKDM-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
Protein ID: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible