General Information of the Compound
| Compound ID |
CP0128637
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| Compound Name |
3-[4-chloro-3-[2-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]ethynyl]phenyl]-N,N-dimethyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-sulfonamide
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| Structure |
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| Formula |
C37H42Cl2N6O3S
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| Molecular Weight |
721.755
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| Canonical SMILES |
CN(C)S(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C37H42Cl2N6O3S/c1-42(2)49(46,47)44-19-16-36-34(27-44)37(41-45(36)18-3-17-43-20-22-48-23-21-43)32-12-15-35(39)31(24-32)11-8-28-4-6-29(7-5-28)25-40-26-30-9-13-33(38)14-10-30/h4-7,9-10,12-15,24,40H,3,16-23,25-27H2,1-2H3
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| InChIKey |
XXSQRHMSXRRFQG-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