
 CHEMBL190975

 81 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL190975

>  <PubChem CID>
44399453

>  <Formula>
C31H42N4O4

>  <Molecular Weight>
534.701000

>  <IUPAC Name>
N-[(2R)-1-[[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)CC(C(=O)NC1CCN(C1)CC2=CC=C(C=C2)OCCCN(C)C)NC(=O)C3=CC4=CC=CC=C4O3

>  <Isomeric SMILES>
CC(C)C[C@H](C(=O)N[C@H]1CCN(C1)CC2=CC=C(C=C2)OCCCN(C)C)NC(=O)C3=CC4=CC=CC=C4O3

>  <InChI Std. ID>
InChI=1S/C31H42N4O4/c1-22(2)18-27(33-31(37)29-19-24-8-5-6-9-28(24)39-29)30(36)32-25-14-16-35(21-25)20-23-10-12-26(13-11-23)38-17-7-15-34(3)4/h5-6,8-13,19,22,25,27H,7,14-18,20-21H2,1-4H3,(H,32,36)(H,33,37)/t25-,27+/m0/s1

>  <InChI Key>
ACPARYNPKYAYQD-AHKZPQOWSA-N

