
 CHEMBL3735236

 94 99  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3735236

>  <PubChem CID>
127035067

>  <Formula>
C37H45N7O4S

>  <Molecular Weight>
683.872000

>  <IUPAC Name>
3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-7-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-propylbenzimidazole-5-carboxamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=C(C(=NO5)C)C)C(=O)NCCN6CCN(CC6)C)C

>  <Isomeric SMILES>
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=C(C(=NO5)C)C)C(=O)NCCN6CCN(CC6)C)C

>  <InChI Std. ID>
InChI=1S/C37H45N7O4S/c1-6-9-34-39-35-25(2)22-30(36(45)38-16-17-43-20-18-42(5)19-21-43)23-32(35)44(34)24-28-12-14-29(15-13-28)31-10-7-8-11-33(31)49(46,47)41-37-26(3)27(4)40-48-37/h7-8,10-15,22-23,41H,6,9,16-21,24H2,1-5H3,(H,38,45)

>  <InChI Key>
AYBOXDRWQNSUGF-UHFFFAOYSA-N

