
 CHEMBL373886

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL373886

>  <PubChem CID>
11678370

>  <Formula>
C34H36N4O3

>  <Molecular Weight>
548.687000

>  <IUPAC Name>
4-(3,4-dimethylphenoxy)-3-[(4-phenylphenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C34H36N4O3/c1-24-10-16-30(22-25(24)2)41-32-17-13-28(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-29-14-11-27(12-15-29)26-8-4-3-5-9-26/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)

>  <InChI Key>
NOHYKQAGOKRKCR-UHFFFAOYSA-N

