General Information of the Compound
| Compound ID |
CP0525079
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| Compound Name |
4-(2-chlorophenyl)-12-oxa-4,5,9-triazatricyclo[7.4.0.02,6]trideca-1,6-diene-3,8-dione
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| Structure |
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| Formula |
C15H12ClN3O3
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| Molecular Weight |
317.732
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| Canonical SMILES |
Clc1ccccc1-n1[nH]c2cc(=O)n3CCOCc3c2c1=O
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| InChI |
InChI=1S/C15H12ClN3O3/c16-9-3-1-2-4-11(9)19-15(21)14-10(17-19)7-13(20)18-5-6-22-8-12(14)18/h1-4,7,17H,5-6,8H2
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| InChIKey |
FQIOOGDMVOLMFS-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: PT06100, NADPH oxidase 1
Protein ID: PT05074, NADPH oxidase 4