General Information of the Compound
| Compound ID |
CP0853723
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| Compound Name |
2-(2-Chlorophenyl)-10-(2-methoxybenzyl)-2,3,8,9,10,11-hexahydro-1H-pyrazolo[4',3':3,4]pyrido[1,2-a][1,4]diazepine-1,5(7H)-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 |
COc1ccccc1CN1CCCn2c(c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)C1.Cl
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| InChI |
InChI=1S/C24H23ClN4O3.ClH/c1-32-21-10-5-2-7-16(21)14-27-11-6-12-28-20(15-27)23-18(13-22(28)30)26-29(24(23)31)19-9-4-3-8-17(19)25;/h2-5,7-10,13,26H,6,11-12,14-15H2,1H3;1H
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| InChIKey |
LTPSFBJZHUEMDP-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