
 CHEMBL589819

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL589819

>  <PubChem CID>
46230119

>  <Formula>
C24H21ClF2N6O5

>  <Molecular Weight>
546.916000

>  <IUPAC 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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCN(C(=O)NCC1=C(C=C(C=C1)C2=CC(=CC(=C2C3=NOC(=N3)C)F)Cl)F)NC(=O)C4=CC(=NO4)OC

>  <Isomeric SMILES>
CCN(C(=O)NCC1=C(C=C(C=C1)C2=CC(=CC(=C2C3=NOC(=N3)C)F)Cl)F)NC(=O)C4=CC(=NO4)OC

>  <InChI Std. ID>
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)

>  <InChI Key>
AGCQXBIRJFMROF-UHFFFAOYSA-N

