General Information of the Compound
| Compound ID |
CP0517082
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| Compound Name |
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(dithiophen-2-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
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| Formula |
C23H23N7O3S2
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| Molecular Weight |
509.617
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| Canonical SMILES |
CCn1cnc(NC(=O)c2cc3n(CC)c(nc3nc2OC)C(O)(c2cccs2)c2cccs2)n1
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| InChI |
InChI=1S/C23H23N7O3S2/c1-4-29-13-24-22(28-29)27-19(31)14-12-15-18(25-20(14)33-3)26-21(30(15)5-2)23(32,16-8-6-10-34-16)17-9-7-11-35-17/h6-13,32H,4-5H2,1-3H3,(H,27,28,31)
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| InChIKey |
NNEQZCDEUPWRRX-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