
 CHEMBL351224

103110  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL351224

>  <PubChem CID>
44377810

>  <Formula>
C45H45ClN8O3S

>  <Molecular Weight>
813.418000

>  <IUPAC Name>


>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1C2=NN=C(N2C3=C(C4=C(S3)CN(CC4)CC5=CC=CC(=C5)C(=NOCCCCC(=O)OCCCC6=CN=CC=C6)C7=CN=CC=C7)C(=N1)C8=CC=CC=C8Cl)C

>  <Isomeric SMILES>
CC1C2=NN=C(N2C3=C(C4=C(S3)CN(CC4)CC5=CC=CC(=C5)/C(=N\OCCCCC(=O)OCCCC6=CN=CC=C6)/C7=CN=CC=C7)C(=N1)C8=CC=CC=C8Cl)C

>  <InChI Std. ID>
InChI=1S/C45H45ClN8O3S/c1-30-44-51-50-31(2)54(44)45-41(43(49-30)36-16-3-4-17-38(36)46)37-19-22-53(29-39(37)58-45)28-33-11-7-14-34(25-33)42(35-15-9-21-48-27-35)52-57-24-6-5-18-40(55)56-23-10-13-32-12-8-20-47-26-32/h3-4,7-9,11-12,14-17,20-21,25-27,30H,5-6,10,13,18-19,22-24,28-29H2,1-2H3/b52-42+

>  <InChI Key>
IYXZHKJXXANYCY-XJKKGHOQSA-N

