General Information of the Compound
| Compound ID |
CP0455364
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| Compound Name |
8-fluoro-4-[[2-(2-methylpropyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C19H18FN5O
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| Molecular Weight |
351.385
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| Canonical SMILES |
CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)cccc12
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| InChI |
InChI=1S/C19H18FN5O/c1-11(2)8-15-23-18-19(22-7-6-21-18)25(15)10-12-9-16(26)24-17-13(12)4-3-5-14(17)20/h3-7,9,11H,8,10H2,1-2H3,(H,24,26)
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| InChIKey |
MSWPEYZUFYWBQH-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