General Information of the Compound
| Compound ID |
CP0527170
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| Compound Name |
N-[3-[4-oxo-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C21H16N4O3S2
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| Molecular Weight |
436.518
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc(c1)-c1c[nH]c(=O)c2cc(sc12)-c1ccnc2[nH]ccc12
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| InChI |
InChI=1S/C21H16N4O3S2/c1-30(27,28)25-13-4-2-3-12(9-13)17-11-24-21(26)16-10-18(29-19(16)17)14-5-7-22-20-15(14)6-8-23-20/h2-11,25H,1H3,(H,22,23)(H,24,26)
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| InChIKey |
KIXOBYUEJWGOEY-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