General Information of the Compound
| Compound ID |
CP0239592
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| Compound Name |
2-[3-[4-chloro-3-[2-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C37H38Cl2N6O2S
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| Molecular Weight |
701.724
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| Canonical SMILES |
NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C37H38Cl2N6O2S/c38-31-11-7-28(8-12-31)24-41-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-33(29)39)35-32-25-44(37(47)36(40)46)17-14-34(32)45(42-35)16-1-15-43-18-20-48-21-19-43/h2-5,7-8,10-13,22,41H,1,14-21,23-25H2,(H2,40,46)
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| InChIKey |
TZUDZPIBLDXFKI-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