
 CHEMBL3892284

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3892284

>  <PubChem CID>
134137469

>  <Formula>
C26H23ClF2N8O4

>  <Molecular Weight>
584.969000

>  <IUPAC Name>
N-[3-[[(1S)-1-[4-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC(C1=C(C=C(C=C1)C2=CC(=CC(=C2C3=NN(N=N3)C)F)Cl)F)NC(=O)C4(COC4)NC(=O)C5=CN=C(N=C5)OC

>  <Isomeric SMILES>
C[C@@H](C1=C(C=C(C=C1)C2=CC(=CC(=C2C3=NN(N=N3)C)F)Cl)F)NC(=O)C4(COC4)NC(=O)C5=CN=C(N=C5)OC

>  <InChI Std. ID>
InChI=1S/C26H23ClF2N8O4/c1-13(32-24(39)26(11-41-12-26)33-23(38)15-9-30-25(40-3)31-10-15)17-5-4-14(6-19(17)28)18-7-16(27)8-20(29)21(18)22-34-36-37(2)35-22/h4-10,13H,11-12H2,1-3H3,(H,32,39)(H,33,38)/t13-/m0/s1

>  <InChI Key>
BQYDRNLLJKBIEI-ZDUSSCGKSA-N

