General Information of the Compound
| Compound ID |
CP0476554
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| Compound Name |
4-[(3-chloro-N-pyrimidin-2-ylanilino)methyl]-7,8-difluoro-1H-quinolin-2-one
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| Structure |
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| Formula |
C20H13ClF2N4O
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| Molecular Weight |
398.8
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| Canonical SMILES |
Fc1ccc2c(CN(c3cccc(Cl)c3)c3ncccn3)cc(=O)[nH]c2c1F
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| InChI |
InChI=1S/C20H13ClF2N4O/c21-13-3-1-4-14(10-13)27(20-24-7-2-8-25-20)11-12-9-17(28)26-19-15(12)5-6-16(22)18(19)23/h1-10H,11H2,(H,26,28)
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| InChIKey |
CRLOLCSPRDTAKH-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