General Information of the Compound
| Compound ID |
CP0459893
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| Compound Name |
4-[(7-chloro-2-cyclobutylimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
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| Structure |
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| Formula |
C20H15ClF2N4O
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| Molecular Weight |
400.816
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| Canonical SMILES |
Fc1ccc2c(Cn3c(nc4c(Cl)ccnc34)C3CCC3)cc(=O)[nH]c2c1F
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| InChI |
InChI=1S/C20H15ClF2N4O/c21-13-6-7-24-20-18(13)26-19(10-2-1-3-10)27(20)9-11-8-15(28)25-17-12(11)4-5-14(22)16(17)23/h4-8,10H,1-3,9H2,(H,25,28)
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| InChIKey |
DEMCTPOHAFTGAY-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