General Information of the Compound
| Compound ID |
CP0318813
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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-[(4-chlorophenyl)methyl]methanamine
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| Structure |
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| Formula |
C36H39Cl2N5O3S
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| Molecular Weight |
692.713
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C36H39Cl2N5O3S/c1-47(44,45)42-18-15-35-33(26-42)36(40-43(35)17-2-16-41-19-21-46-22-20-41)31-11-14-34(38)30(23-31)10-7-27-3-5-28(6-4-27)24-39-25-29-8-12-32(37)13-9-29/h3-6,8-9,11-14,23,39H,2,15-22,24-26H2,1H3
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| InChIKey |
KAXBWGISEAJMID-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