
 CHEMBL3980627

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3980627

>  <PubChem CID>
134157414

>  <Formula>
C24H19ClF2N6O5

>  <Molecular Weight>
544.900000

>  <IUPAC Name>
N-[3-[[(1S)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoropyridin-2-yl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1=NC(=NO1)C2=C(C=C(C=C2C3=CC(=C(N=C3)C(C)NC(=O)C4(COC4)NC(=O)C5=CC=NO5)F)Cl)F

>  <Isomeric SMILES>
CC1=NC(=NO1)C2=C(C=C(C=C2C3=CC(=C(N=C3)[C@H](C)NC(=O)C4(COC4)NC(=O)C5=CC=NO5)F)Cl)F

>  <InChI Std. ID>
InChI=1S/C24H19ClF2N6O5/c1-11(30-23(35)24(9-36-10-24)32-22(34)18-3-4-29-38-18)20-17(27)5-13(8-28-20)15-6-14(25)7-16(26)19(15)21-31-12(2)37-33-21/h3-8,11H,9-10H2,1-2H3,(H,30,35)(H,32,34)/t11-/m0/s1

>  <InChI Key>
AOIDNJHTGXZGOW-NSHDSACASA-N

