General Information of the Compound
| Compound ID |
CP0436568
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| Compound Name |
7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C21H14F2N4OS
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| Molecular Weight |
408.433
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| Canonical SMILES |
Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
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| InChI |
InChI=1S/C21H14F2N4OS/c1-11-20(29-10-24-11)21-25-15-4-2-3-5-16(15)27(21)9-12-8-17(28)26-19-13(12)6-7-14(22)18(19)23/h2-8,10H,9H2,1H3,(H,26,28)
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| InChIKey |
XVXARZLFMBTLPX-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
Protein ID: PT01718, Nitric oxide synthase, inducible