General Information of the Compound
| Compound ID |
CP0430036
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| Compound Name |
1-(3-methoxyphenyl)-3-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]urea
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| Structure |
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| Formula |
C27H22N4O2
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| Molecular Weight |
434.499
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C27H22N4O2/c1-33-23-12-6-11-22(15-23)31-27(32)30-21-10-5-9-19(13-21)25-17-29-26-24(25)14-20(16-28-26)18-7-3-2-4-8-18/h2-17H,1H3,(H,28,29)(H2,30,31,32)
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| InChIKey |
DCKXDFIWMOCNBS-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
Protein ID: PT00954, Receptor-interacting serine/threonine-protein kinase 1