
 CHEMBL3220888

 57 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3220888

>  <PubChem CID>
90667430

>  <Formula>
C21H30N4O2

>  <Molecular Weight>
370.497000

>  <IUPAC Name>
N-[N'-[3-[5-[(dimethylamino)methyl]furan-2-yl]propyl]carbamimidoyl]-3-phenylbutanamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(CC(=O)NC(=NCCCC1=CC=C(O1)CN(C)C)N)C2=CC=CC=C2

>  <Isomeric SMILES>
CC(CC(=O)NC(=NCCCC1=CC=C(O1)CN(C)C)N)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C21H30N4O2/c1-16(17-8-5-4-6-9-17)14-20(26)24-21(22)23-13-7-10-18-11-12-19(27-18)15-25(2)3/h4-6,8-9,11-12,16H,7,10,13-15H2,1-3H3,(H3,22,23,24,26)

>  <InChI Key>
BCHZZFRPLSLIAG-UHFFFAOYSA-N

