General Information of the Compound
| Compound ID |
CP0469732
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| Compound Name |
N-[[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]methyl]benzamide
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| Structure |
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| Formula |
C36H38ClN5O4S
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| Molecular Weight |
672.251
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNC(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C36H38ClN5O4S/c1-47(44,45)41-19-16-34-32(26-41)35(39-42(34)18-5-17-40-20-22-46-23-21-40)31-14-15-33(37)30(24-31)13-12-27-8-10-28(11-9-27)25-38-36(43)29-6-3-2-4-7-29/h2-4,6-11,14-15,24H,5,16-23,25-26H2,1H3,(H,38,43)
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| InChIKey |
HRWSGXXDVUKRRF-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