General Information of the Compound
| Compound ID |
CP0489800
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| Compound Name |
7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C18H15F2N5O
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| Molecular Weight |
355.348
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| Canonical SMILES |
CC(C)c1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
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| InChI |
InChI=1S/C18H15F2N5O/c1-9(2)17-24-16-18(22-6-5-21-16)25(17)8-10-7-13(26)23-15-11(10)3-4-12(19)14(15)20/h3-7,9H,8H2,1-2H3,(H,23,26)
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| InChIKey |
PEWDIBHBYMLYOJ-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