General Information of the Compound
| Compound ID |
CP0504745
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| Compound Name |
1-[4-[2-[2-chloro-5-[5-methylsulfonyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]ethynyl]phenyl]-N-[(3,4-dichlorophenyl)methyl]methanamine
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| Structure |
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| Formula |
C36H38Cl3N5O3S
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| Molecular Weight |
727.158
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C36H38Cl3N5O3S/c1-48(45,46)43-16-13-35-31(25-43)36(41-44(35)15-2-14-42-17-19-47-20-18-42)30-10-12-32(37)29(22-30)9-7-26-3-5-27(6-4-26)23-40-24-28-8-11-33(38)34(39)21-28/h3-6,8,10-12,21-22,40H,2,13-20,23-25H2,1H3
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| InChIKey |
KJJHOXYCRFSKEX-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