
 CHEMBL324318

116128  0  0  0  0  0  0  0  0999 V2000
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M  CHG  4   7   1  39   1  57  -1  58  -1
M  END

>  <Chemical Name>
CHEMBL324318

>  <PubChem CID>
44345711

>  <Formula>
C50H58Br2N4O2

>  <Molecular Weight>
906.848000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC=CC(C1)[N+]23CCC45C2CC6C7C4N(C8C9C1CC2C4(C9N(C7OCC=C6C3)C3=CC=CC=C34)CC[N+]2(CC1=CCO8)C1CCCC=C1)C1=CC=CC=C51.[Br-].[Br-]

>  <Isomeric SMILES>
C1CC=CC(C1)[N@@+]23CCC45C2CC6C7C4N(C8C9C1CC2C4(C9N(C7OCC=C6C3)C3=CC=CC=C34)CC[N@+]2(CC1=CCO8)C1CCCC=C1)C1=CC=CC=C51.[Br-].[Br-]

>  <InChI Std. ID>
InChI=1S/C50H58N4O2.2BrH/c1-3-11-33(12-4-1)53-23-21-49-37-15-7-9-17-39(37)51-45(49)43-35(27-41(49)53)31(29-53)19-25-55-47(43)52-40-18-10-8-16-38(40)50-22-24-54(34-13-5-2-6-14-34)30-32-20-26-56-48(51)44(46(50)52)36(32)28-42(50)54;;/h3,5,7-11,13,15-20,33-36,41-48H,1-2,4,6,12,14,21-30H2;2*1H/q+2;;/p-2/t33?,34?,35?,36?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53-,54-;;/m0../s1

>  <InChI Key>
CJCBNOWBNHRKGS-IEOMVSAVSA-L

