General Information of the Compound
| Compound ID |
CP0505154
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| Compound Name |
1-(3-(5-(3-((2-(dimethylamino)ethyl)carbamoyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)-3-(2-phenoxyphenyl)urea
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| Structure |
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| Formula |
C37H34N6O3
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| Molecular Weight |
610.718
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| Canonical SMILES |
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1
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| InChI |
InChI=1S/C37H34N6O3/c1-43(2)19-18-38-36(44)27-12-8-10-25(20-27)28-22-31-32(24-40-35(31)39-23-28)26-11-9-13-29(21-26)41-37(45)42-33-16-6-7-17-34(33)46-30-14-4-3-5-15-30/h3-17,20-24H,18-19H2,1-2H3,(H,38,44)(H,39,40)(H2,41,42,45)
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| InChIKey |
OMKZLYFGIPRVIT-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