General Information of the Compound
| Compound ID |
CP0431058
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| Compound Name |
1-[3-[5-[4-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-(2-phenoxyphenyl)urea
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| Structure |
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| Formula |
C34H29N5O4S
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| Molecular Weight |
603.704
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1
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| InChI |
InChI=1S/C34H29N5O4S/c1-39(2)44(41,42)28-17-15-23(16-18-28)25-20-29-30(22-36-33(29)35-21-25)24-9-8-10-26(19-24)37-34(40)38-31-13-6-7-14-32(31)43-27-11-4-3-5-12-27/h3-22H,1-2H3,(H,35,36)(H2,37,38,40)
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| InChIKey |
BEFIVNPNOGANIJ-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