General Information of the Compound
| Compound ID |
CP0409366
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| Compound Name |
1-Benzofuran-6-yl-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
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| Structure |
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| Formula |
C30H31N5O4
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| Molecular Weight |
525.609
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ccoc4c3)C2=O)c1
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| InChI |
InChI=1S/C30H31N5O4/c1-19(2)31-29(37)32-23-8-5-6-20(16-23)18-35-26-9-4-3-7-21(26)11-13-25(28(35)36)34-30(38)33-24-12-10-22-14-15-39-27(22)17-24/h3-10,12,14-17,19,25H,11,13,18H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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| InChIKey |
SZUHKXHQYYDSLL-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