General Information of the Compound
| Compound ID |
CP0407644
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| Compound Name |
3-(4-(3-(3-(3-(2-phenoxyphenyl)ureido)phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C35H28N4O4
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| Molecular Weight |
568.633
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1
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| InChI |
InChI=1S/C35H28N4O4/c40-33(41)18-15-23-13-16-24(17-14-23)26-20-29-30(22-37-34(29)36-21-26)25-7-6-8-27(19-25)38-35(42)39-31-11-4-5-12-32(31)43-28-9-2-1-3-10-28/h1-14,16-17,19-22H,15,18H2,(H,36,37)(H,40,41)(H2,38,39,42)
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| InChIKey |
ORMJCVSGTNQSMG-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