General Information of the Compound
| Compound ID |
CP0510556
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| Compound Name |
1-(2-(benzyloxy)phenyl)-3-(3-(5-(3-(dimethylcarbamoyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)urea
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| Structure |
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| Formula |
C36H31N5O3
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| Molecular Weight |
581.676
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| Canonical SMILES |
CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4OCc4ccccc4)c3)c2c1
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| InChI |
InChI=1S/C36H31N5O3/c1-41(2)35(42)27-14-8-12-25(18-27)28-20-30-31(22-38-34(30)37-21-28)26-13-9-15-29(19-26)39-36(43)40-32-16-6-7-17-33(32)44-23-24-10-4-3-5-11-24/h3-22H,23H2,1-2H3,(H,37,38)(H2,39,40,43)
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| InChIKey |
AFKZEIRPJTZMPR-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