General Information of the Compound
| Compound ID |
CP0458811
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| Compound Name |
7,8-difluoro-4-[[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C20H12F2N4OS
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| Molecular Weight |
394.406
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| Canonical SMILES |
Fc1ccc2c(Cn3c(nc4ccccc34)-c3cncs3)cc(=O)[nH]c2c1F
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| InChI |
InChI=1S/C20H12F2N4OS/c21-13-6-5-12-11(7-17(27)25-19(12)18(13)22)9-26-15-4-2-1-3-14(15)24-20(26)16-8-23-10-28-16/h1-8,10H,9H2,(H,25,27)
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| InChIKey |
VOOBOBZATBWARO-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