General Information of the Compound
| Compound ID |
CP0372236
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| Compound Name |
quinolinone, 13
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| Structure |
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| Formula |
C21H15ClFN3O2S
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| Molecular Weight |
427.888
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| Canonical SMILES |
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-7-5-14(22)6-8-15)10-13-9-18(27)25-19-16(13)3-2-4-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)
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| InChIKey |
XWHHQKKQWSKFJI-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