General Information of the Compound
| Compound ID |
CP0517590
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| Compound Name |
3-[[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]methyl]-1-ethyl-1-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]urea
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| Structure |
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| Formula |
C24H21ClF2N6O5
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| Molecular Weight |
546.918
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| Canonical SMILES |
CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
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| InChI |
InChI=1S/C24H21ClF2N6O5/c1-4-33(30-23(34)19-10-20(36-3)31-38-19)24(35)28-11-14-6-5-13(7-17(14)26)16-8-15(25)9-18(27)21(16)22-29-12(2)37-32-22/h5-10H,4,11H2,1-3H3,(H,28,35)(H,30,34)
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| InChIKey |
AGCQXBIRJFMROF-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