General Information of the Compound
| Compound ID |
CP0573068
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| Compound Name |
N-[2-[[3-[2-(3,5-dimethoxyphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H22N4O3
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| Molecular Weight |
438.487
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| Canonical SMILES |
COc1cc(OC)cc(c1)C#Cc1c[nH]c2nc(Nc3ccccc3NC(=O)C=C)ccc12
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| InChI |
InChI=1S/C26H22N4O3/c1-4-25(31)29-23-8-6-5-7-22(23)28-24-12-11-21-18(16-27-26(21)30-24)10-9-17-13-19(32-2)15-20(14-17)33-3/h4-8,11-16H,1H2,2-3H3,(H,29,31)(H2,27,28,30)
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| InChIKey |
TXMQAAGWVJFHTR-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