
 CHEMBL3675745

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3675745

>  <PubChem CID>
68378961

>  <Formula>
C28H35N7O3

>  <Molecular Weight>
517.634000

>  <IUPAC Name>
(2S)-1-[4-[5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-hydroxy-2-(methylamino)propan-1-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=NN=C(O4)C5CCN(CC5)C(=O)C(CO)NC)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=NN=C(O4)C5CCN(CC5)C(=O)[C@H](CO)NC)C)C

>  <InChI Std. ID>
InChI=1S/C28H35N7O3/c1-5-23-22(25-30-17(2)14-18(3)35(25)33-23)15-19-6-8-20(9-7-19)26-31-32-27(38-26)21-10-12-34(13-11-21)28(37)24(16-36)29-4/h6-9,14,21,24,29,36H,5,10-13,15-16H2,1-4H3/t24-/m0/s1

>  <InChI Key>
ZVDIRDYLOZQUEA-DEOSSOPVSA-N

