General Information of the Compound
| Compound ID |
CP0389577
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| Compound Name |
4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
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| Structure |
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| Formula |
C21H18F2N4O2
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| Molecular Weight |
396.397
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| Canonical SMILES |
COc1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1
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| InChI |
InChI=1S/C21H18F2N4O2/c1-29-15-7-8-24-21-19(15)26-20(11-3-2-4-11)27(21)10-12-9-16(28)25-18-13(12)5-6-14(22)17(18)23/h5-9,11H,2-4,10H2,1H3,(H,25,28)
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| InChIKey |
OBPMKZUKZANIQJ-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