
 CHEMBL609157

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

>  <Chemical Name>
CHEMBL609157

>  <PubChem CID>
46230121

>  <Formula>
C23H21ClF2N8O4

>  <Molecular Weight>
546.920000

>  <IUPAC Name>
3-[[4-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-2-fluorophenyl]methyl]-1-ethyl-1-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]urea

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

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

>  <InChI Std. ID>
InChI=1S/C23H21ClF2N8O4/c1-4-34(30-22(35)18-10-19(37-3)31-38-18)23(36)27-11-13-6-5-12(7-16(13)25)15-8-14(24)9-17(26)20(15)21-28-32-33(2)29-21/h5-10H,4,11H2,1-3H3,(H,27,36)(H,30,35)

>  <InChI Key>
BSTTUUBZUYRDAK-UHFFFAOYSA-N

