
 CHEMBL266646

140143  0  0  0  0  0  0  0  0999 V2000
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M  CHG  8  29  -1  33  -1  37  -1  82  -1  86  -1  90  -1  97   1  98   1
M  CHG  4  99   1 100   1 101   1 102   1
M  END

>  <Chemical Name>
CHEMBL266646

>  <PubChem CID>
16163319

>  <Formula>
C61H38N6Na6O23S6

>  <Molecular Weight>
1553.293000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
23

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C5=CC(=CC=C5)NC(=O)NC6=CC=CC(=C6)C(=O)NC7=C(C=CC(=C7)C(=O)NC8=C9C(=CC(=CC9=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C1=CC=CC=C1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C5=CC(=CC=C5)NC(=O)NC6=CC=CC(=C6)C(=O)NC7=C(C=CC(=C7)C(=O)NC8=C9C(=CC(=CC9=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C1=CC=CC=C1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

>  <InChI Std. ID>
InChI=1S/C61H44N6O23S6.6Na/c68-57(66-49-27-37(17-19-43(49)33-9-3-1-4-10-33)59(70)64-47-21-23-51(93(79,80)81)45-29-41(91(73,74)75)31-53(55(45)47)95(85,86)87)35-13-7-15-39(25-35)62-61(72)63-40-16-8-14-36(26-40)58(69)67-50-28-38(18-20-44(50)34-11-5-2-6-12-34)60(71)65-48-22-24-52(94(82,83)84)46-30-42(92(76,77)78)32-54(56(46)48)96(88,89)90;;;;;;/h1-32H,(H,64,70)(H,65,71)(H,66,68)(H,67,69)(H2,62,63,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90);;;;;;/q;6*+1/p-6

>  <InChI Key>
UFQDBQHBYBYCIN-UHFFFAOYSA-H

