General Information of the Compound
| Compound ID |
CP0544891
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| Compound Name |
N-[2-[[3-(2,6-dichloro-3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H20Cl2N4O4
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| Molecular Weight |
511.365
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| Canonical SMILES |
COc1cc(OC)c(Cl)c(C(=O)c2c[nH]c3nc(Nc4ccccc4NC(=O)C=C)ccc23)c1Cl
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| InChI |
InChI=1S/C25H20Cl2N4O4/c1-4-20(32)30-16-8-6-5-7-15(16)29-19-10-9-13-14(12-28-25(13)31-19)24(33)21-22(26)17(34-2)11-18(35-3)23(21)27/h4-12H,1H2,2-3H3,(H,30,32)(H2,28,29,31)
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| InChIKey |
LCXFTIUZOBDGCF-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