General Information of the Compound
| Compound ID |
CP0374126
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| Compound Name |
4-Chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazolyl][4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino]methylene}benzenesulfonamide
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| Structure |
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| Formula |
C39H38Cl2N6O2S
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| Molecular Weight |
725.746
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| Canonical SMILES |
Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCNc1c2CCCCc2nc2ccccc12
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| InChI |
InChI=1S/C39H38Cl2N6O2S/c40-29-18-16-28(17-19-29)37-34(27-10-2-1-3-11-27)26-47(45-37)39(46-50(48,49)31-22-20-30(41)21-23-31)43-25-9-8-24-42-38-32-12-4-6-14-35(32)44-36-15-7-5-13-33(36)38/h1-4,6,10-12,14,16-23,34H,5,7-9,13,15,24-26H2,(H,42,44)(H,43,46)
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| InChIKey |
DFQGASIMGBFSOR-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: PT00820, Acetylcholinesterase
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2