General Information of the Compound
| Compound ID |
CP0455171
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| Compound Name |
4-Chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazolyl]-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]-methylene}benzenesulfonamide
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| Structure |
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| Formula |
C42H44Cl2N6O2S
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| Molecular Weight |
767.827
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| Canonical SMILES |
Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCCCCNc1c2CCCCc2nc2ccccc12
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| InChI |
InChI=1S/C42H44Cl2N6O2S/c43-32-21-19-31(20-22-32)40-37(30-13-5-4-6-14-30)29-50(48-40)42(49-53(51,52)34-25-23-33(44)24-26-34)46-28-12-3-1-2-11-27-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h4-7,9,13-15,17,19-26,37H,1-3,8,10-12,16,18,27-29H2,(H,45,47)(H,46,49)
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| InChIKey |
REGUYCWTBDAZDP-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