
 CHEMBL3764088

 57 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3764088

>  <PubChem CID>
44472610

>  <Formula>
C24H26N4O3

>  <Molecular Weight>
418.497000

>  <IUPAC Name>
N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-2-(6-oxopyridazin-1-yl)acetamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(NC1CC2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC=N3)C(C4=CC=CC=C4)O

>  <Isomeric SMILES>
C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC=N3)[C@@H](C4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C24H26N4O3/c29-22(16-28-23(30)7-4-14-25-28)27-19-10-8-17(9-11-19)15-20-12-13-21(26-20)24(31)18-5-2-1-3-6-18/h1-11,14,20-21,24,26,31H,12-13,15-16H2,(H,27,29)/t20-,21+,24+/m0/s1

>  <InChI Key>
URLFNGRPGJRFPI-YZUZCNPQSA-N

