General Information of the Compound
| Compound ID |
CP0270775
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| Compound Name |
3-[4-chloro-3-[2-[4-(pyridin-3-ylmethylcarbamoyl)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 |
C35H36ClN7O2S
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| Molecular Weight |
654.24
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NCc1cccnc1
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| InChI |
InChI=1S/C35H36ClN7O2S/c36-31-11-10-29(21-28(31)9-6-25-4-7-27(8-5-25)34(44)39-23-26-3-1-13-38-22-26)33-30-24-42(35(37)45)16-12-32(30)43(40-33)15-2-14-41-17-19-46-20-18-41/h1,3-5,7-8,10-11,13,21-22H,2,12,14-20,23-24H2,(H2,37,45)(H,39,44)
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| InChIKey |
IFCUEJZPEUAURM-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