General Information of the Compound
| Compound ID |
CP0520483
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| Compound Name |
6-[[2-(azepan-1-yl)-6-chloropyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C20H21ClN4O2
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| Molecular Weight |
384.867
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| Canonical SMILES |
OC(=O)c1cccc(Cc2c(nn3cc(Cl)ccc23)N2CCCCCC2)n1
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| InChI |
InChI=1S/C20H21ClN4O2/c21-14-8-9-18-16(12-15-6-5-7-17(22-15)20(26)27)19(23-25(18)13-14)24-10-3-1-2-4-11-24/h5-9,13H,1-4,10-12H2,(H,26,27)
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| InChIKey |
NEFCROPKPXGIOQ-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