
 CHEMBL1784934

110115  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1784934

>  <PubChem CID>
54582467

>  <Formula>
C40H57N7O5S

>  <Molecular Weight>
748.000000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCNCCC34CCCN3C(=O)N(C4=O)CCCCN5CCN(CC5)C6=CC=CC=C6OC

>  <Isomeric SMILES>
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCNCCC34CCCN3C(=O)N(C4=O)CCCCN5CCN(CC5)C6=CC=CC=C6OC

>  <InChI Std. ID>
InChI=1S/C40H57N7O5S/c1-43(2)34-17-11-15-33-32(34)14-12-19-37(33)53(50,51)42-23-8-4-7-22-41-24-21-40-20-13-27-47(40)39(49)46(38(40)48)26-10-9-25-44-28-30-45(31-29-44)35-16-5-6-18-36(35)52-3/h5-6,11-12,14-19,41-42H,4,7-10,13,20-31H2,1-3H3

>  <InChI Key>
AIYJDZKQHORDMD-UHFFFAOYSA-N

