General Information of the Compound
| Compound ID |
CP0577782
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| Compound Name |
N-[2-[[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C24H20N4O3
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| Molecular Weight |
412.449
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| Canonical SMILES |
COc1cccc(c1)C(=O)c1c[nH]c2nc(Nc3ccccc3NC(=O)C=C)ccc12
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| InChI |
InChI=1S/C24H20N4O3/c1-3-22(29)27-20-10-5-4-9-19(20)26-21-12-11-17-18(14-25-24(17)28-21)23(30)15-7-6-8-16(13-15)31-2/h3-14H,1H2,2H3,(H,27,29)(H2,25,26,28)
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| InChIKey |
FHMFCLKWKLVDOZ-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