General Information of the Compound
| Compound ID |
CP0579489
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| Compound Name |
N-(3,5-dimethoxyphenyl)-6-[2-(prop-2-enoylamino)anilino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H23N5O4
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| Molecular Weight |
457.49
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| Canonical SMILES |
COc1cc(NC(=O)c2c[nH]c3nc(Nc4ccccc4NC(=O)C=C)ccc23)cc(OC)c1
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| InChI |
InChI=1S/C25H23N5O4/c1-4-23(31)29-21-8-6-5-7-20(21)28-22-10-9-18-19(14-26-24(18)30-22)25(32)27-15-11-16(33-2)13-17(12-15)34-3/h4-14H,1H2,2-3H3,(H,27,32)(H,29,31)(H2,26,28,30)
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| InChIKey |
CQSORLFWUKIDEQ-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