General Information of the Compound
| Compound ID |
CP0510555
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| Compound Name |
3-(3-(3-(3-(2-phenoxyphenyl)ureido)phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoic acid
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| Structure |
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| Formula |
C33H24N4O4
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| Molecular Weight |
540.579
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| Canonical SMILES |
OC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1
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| InChI |
InChI=1S/C33H24N4O4/c38-32(39)23-10-6-8-21(16-23)24-18-27-28(20-35-31(27)34-19-24)22-9-7-11-25(17-22)36-33(40)37-29-14-4-5-15-30(29)41-26-12-2-1-3-13-26/h1-20H,(H,34,35)(H,38,39)(H2,36,37,40)
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| InChIKey |
KIIUTGRDGOYVOP-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