General Information of the Compound
| Compound ID |
CP0524588
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| Compound Name |
1-(2,4-Difluoro-phenyl)-3-{9-[2-(3-isopropyl-ureido)-thiazol-4-ylmethyl]-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-7-yl}-urea
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| Structure |
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| Formula |
C24H24F2N6O4S
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| Molecular Weight |
530.557
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| Canonical SMILES |
CC(C)NC(=O)Nc1nc(CN2c3ccccc3OCC(NC(=O)Nc3ccc(F)cc3F)C2=O)cs1
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| InChI |
InChI=1S/C24H24F2N6O4S/c1-13(2)27-22(34)31-24-28-15(12-37-24)10-32-19-5-3-4-6-20(19)36-11-18(21(32)33)30-23(35)29-17-8-7-14(25)9-16(17)26/h3-9,12-13,18H,10-11H2,1-2H3,(H2,29,30,35)(H2,27,28,31,34)
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| InChIKey |
RDXKPKGUGFOUOF-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