General Information of the Compound
| Compound ID |
CP0569433
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| Compound Name |
N-[2-[[3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C23H20N4O2S
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| Molecular Weight |
416.506
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| Canonical SMILES |
COc1cccc(Sc2c[nH]c3nc(Nc4ccccc4NC(=O)C=C)ccc23)c1
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| InChI |
InChI=1S/C23H20N4O2S/c1-3-22(28)26-19-10-5-4-9-18(19)25-21-12-11-17-20(14-24-23(17)27-21)30-16-8-6-7-15(13-16)29-2/h3-14H,1H2,2H3,(H,26,28)(H2,24,25,27)
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| InChIKey |
IZHPZALXILXALJ-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