
 CHEMBL3910554

 60 64  0  0  0  0  0  0  0  0999 V2000
    1.8613   -1.4656    4.0773 C   0  0  0  0  0
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   15.4709   -3.4771   -0.3918 O   0  0  0  0  0
   14.3390   -4.2045   -0.1789 C   0  0  0  0  0
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    4.1444    0.0761    2.8391 H   0  0  0  0  0
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    9.2019   -2.1096   -1.8150 H   0  0  0  0  0
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   13.3567   -4.8415    1.5886 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3910554

>  <PubChem CID>
134131886

>  <Formula>
C25H21ClF2N6O5

>  <Molecular Weight>
558.927000

>  <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]-3-methyl-1,2-oxazole-5-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1=NOC(=C1)C(=O)NC2(COC2)C(=O)NC(C)C3=C(C=C(C=N3)C4=CC(=CC(=C4C5=NOC(=N5)C)F)Cl)F

>  <Isomeric SMILES>
CC1=NOC(=C1)C(=O)NC2(COC2)C(=O)N[C@@H](C)C3=C(C=C(C=N3)C4=CC(=CC(=C4C5=NOC(=N5)C)F)Cl)F

>  <InChI Std. ID>
InChI=1S/C25H21ClF2N6O5/c1-11-4-19(39-33-11)23(35)32-25(9-37-10-25)24(36)30-12(2)21-18(28)5-14(8-29-21)16-6-15(26)7-17(27)20(16)22-31-13(3)38-34-22/h4-8,12H,9-10H2,1-3H3,(H,30,36)(H,32,35)/t12-/m0/s1

>  <InChI Key>
CIWKVMMSEKHWEK-LBPRGKRZSA-N

