General Information of the Compound
| Compound ID |
CP0868711
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| Compound Name |
2-(2-Chloro-phenyl)-9-(3-methoxy-benzyl)-2,3,7,8,9,10-hexahydro-6H-2,3,5a,9-tetraaza-cyclohepta[e]indene-1,5-dione hydrochloride
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| Structure |
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| Formula |
C24H24Cl2N4O3
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| Molecular Weight |
487.387
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| Canonical SMILES |
COc1cccc(CN2CCCn3c(c4c(=O)n(-c5ccccc5Cl)[nH]c4cc3=O)C2)c1.Cl
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| InChI |
InChI=1S/C24H23ClN4O3.ClH/c1-32-17-7-4-6-16(12-17)14-27-10-5-11-28-21(15-27)23-19(13-22(28)30)26-29(24(23)31)20-9-3-2-8-18(20)25;/h2-4,6-9,12-13,26H,5,10-11,14-15H2,1H3;1H
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| InChIKey |
OLYAETSYYDQEHW-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