General Information of the Compound
| Compound ID |
CP0543261
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| Compound Name |
N-[2-[[3-(2,6-dichloro-3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-(2-methoxyethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H26Cl2N4O6
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| Molecular Weight |
585.444
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| Canonical SMILES |
COCCOc1ccc(Nc2ccc3c(c[nH]c3n2)C(=O)c2c(Cl)c(OC)cc(OC)c2Cl)c(NC(=O)C=C)c1
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| InChI |
InChI=1S/C28H26Cl2N4O6/c1-5-23(35)33-19-12-15(40-11-10-37-2)6-8-18(19)32-22-9-7-16-17(14-31-28(16)34-22)27(36)24-25(29)20(38-3)13-21(39-4)26(24)30/h5-9,12-14H,1,10-11H2,2-4H3,(H,33,35)(H2,31,32,34)
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| InChIKey |
HWBHDXLQYYVOKZ-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