General Information of the Compound
| Compound ID |
CP0580066
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| Compound Name |
N-[2-[[3-[(3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H24N4O3
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| Molecular Weight |
428.492
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| Canonical SMILES |
COc1cc(Cc2c[nH]c3nc(Nc4ccccc4NC(=O)C=C)ccc23)cc(OC)c1
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| InChI |
InChI=1S/C25H24N4O3/c1-4-24(30)28-22-8-6-5-7-21(22)27-23-10-9-20-17(15-26-25(20)29-23)11-16-12-18(31-2)14-19(13-16)32-3/h4-10,12-15H,1,11H2,2-3H3,(H,28,30)(H2,26,27,29)
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| InChIKey |
MAEVFKDDSHTHJT-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