General Information of the Compound
| Compound ID |
CP0407643
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| Compound Name |
1-(3-(5-(3-(dimethylcarbamoyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)-3-(4-phenoxyphenyl)urea
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| Structure |
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| Formula |
C35H29N5O3
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| Molecular Weight |
567.649
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| Canonical SMILES |
CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)c3)c2c1
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| InChI |
InChI=1S/C35H29N5O3/c1-40(2)34(41)25-10-6-8-23(18-25)26-20-31-32(22-37-33(31)36-21-26)24-9-7-11-28(19-24)39-35(42)38-27-14-16-30(17-15-27)43-29-12-4-3-5-13-29/h3-22H,1-2H3,(H,36,37)(H2,38,39,42)
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| InChIKey |
IKBKKXCYAVMTBB-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