
 CHEMBL3263685

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263685

>  <PubChem CID>
71234065

>  <Formula>
C31H31N5O4

>  <Molecular Weight>
537.620000

>  <IUPAC Name>
N-[5-[(3-carbamoylphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC(=C4)C(=O)N)NC(=O)C5=CC=CO5

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC(=C4)C(=O)N)NC(=O)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C31H31N5O4/c1-21-6-2-3-9-26(21)35-13-15-36(16-14-35)27-12-11-24(19-25(27)34-31(39)28-10-5-17-40-28)30(38)33-20-22-7-4-8-23(18-22)29(32)37/h2-12,17-19H,13-16,20H2,1H3,(H2,32,37)(H,33,38)(H,34,39)

>  <InChI Key>
AQRDOTOETYKPMB-UHFFFAOYSA-N

