General Information of the Compound
| Compound ID |
CP0317647
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| Compound Name |
N-[2-[4-(dimethylsulfamoylamino)phenyl]ethyl]-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
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| Structure |
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| Formula |
C21H22N6O3S2
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| Molecular Weight |
470.58
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1
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| InChI |
InChI=1S/C21H22N6O3S2/c1-27(2)32(29,30)26-16-5-3-14(4-6-16)7-10-23-21(28)17-8-11-22-20-18(17)24-19(25-20)15-9-12-31-13-15/h3-6,8-9,11-13,26H,7,10H2,1-2H3,(H,23,28)(H,22,24,25)
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| InChIKey |
GCZGDGYVEBPMFG-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