General Information of the Compound
| Compound ID |
CP0464931
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| Compound Name |
1-(2,4-Difluoro-phenyl)-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 |
C28H29F2N5O3
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| Molecular Weight |
521.568
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(F)cc3F)C2=O)c1
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| InChI |
InChI=1S/C28H29F2N5O3/c1-17(2)31-27(37)32-21-8-5-6-18(14-21)16-35-25-9-4-3-7-19(25)10-12-24(26(35)36)34-28(38)33-23-13-11-20(29)15-22(23)30/h3-9,11,13-15,17,24H,10,12,16H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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| InChIKey |
WBDAJKSOSJQFFZ-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