General Information of the Compound
| Compound ID |
CP0145803
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| Compound Name |
3-[4-chloro-3-[2-[4-(pyridin-3-ylmethoxymethyl)phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C35H37ClN6O2S
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| Molecular Weight |
641.241
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(COCc2cccnc2)cc1
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| InChI |
InChI=1S/C35H37ClN6O2S/c36-32-11-10-30(21-29(32)9-8-26-4-6-27(7-5-26)24-44-25-28-3-1-13-38-22-28)34-31-23-41(35(37)43)16-12-33(31)42(39-34)15-2-14-40-17-19-45-20-18-40/h1,3-7,10-11,13,21-22H,2,12,14-20,23-25H2,(H2,37,43)
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| InChIKey |
HZCOFZCUIMGIDW-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