
 CHEMBL1784932

108113  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1784932

>  <PubChem CID>
54582466

>  <Formula>
C40H56N6O5S

>  <Molecular Weight>
732.985000

>  <IUPAC Name>
5-(dimethylamino)-N-[7-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7a-yl]heptyl]naphthalene-1-sulfonamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCC34CCCN3C(=O)N(C4=O)CCCCN5CCN(CC5)C6=CC=CC=C6OC

>  <Isomeric SMILES>
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCC34CCCN3C(=O)N(C4=O)CCCCN5CCN(CC5)C6=CC=CC=C6OC

>  <InChI Std. ID>
InChI=1S/C40H56N6O5S/c1-42(2)34-19-13-17-33-32(34)16-14-21-37(33)52(49,50)41-24-10-6-4-5-9-22-40-23-15-27-46(40)39(48)45(38(40)47)26-12-11-25-43-28-30-44(31-29-43)35-18-7-8-20-36(35)51-3/h7-8,13-14,16-21,41H,4-6,9-12,15,22-31H2,1-3H3

>  <InChI Key>
AFNGHTWCRNTHHB-UHFFFAOYSA-N

