
 CHEMBL76763

 86 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL76763

>  <PubChem CID>
44314536

>  <Formula>
C37H40N4O5

>  <Molecular Weight>
620.750000

>  <IUPAC Name>
2-methyl-N-[4-[methyl-[2-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)phenoxy]phenyl]carbamoyl]phenyl]furan-3-carboxamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3OC4=CC=CC=C4C(=O)N5CCC(CC5)N6CCCCC6

>  <Isomeric SMILES>
CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3OC4=CC=CC=C4C(=O)N5CCC(CC5)N6CCCCC6

>  <InChI Std. ID>
InChI=1S/C37H40N4O5/c1-26-30(20-25-45-26)35(42)38-28-16-14-27(15-17-28)36(43)39(2)32-11-5-7-13-34(32)46-33-12-6-4-10-31(33)37(44)41-23-18-29(19-24-41)40-21-8-3-9-22-40/h4-7,10-17,20,25,29H,3,8-9,18-19,21-24H2,1-2H3,(H,38,42)

>  <InChI Key>
BLVDTYXRFJFTEH-UHFFFAOYSA-N

