
 CHEMBL2112220

 92 96  0  0  0  0  0  0  0  0999 V2000
   19.9372   -4.3855   -6.3120 C   0  0  0  0  0
   20.2633   -3.3746   -5.3023 N   0  0  0  0  0
   21.6074   -2.8486   -5.5521 C   0  0  0  0  0
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   14.6218    5.6355   -3.9226 H   0  0  0  0  0
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   12.7325   -2.7386    2.4800 H   0  0  0  0  0
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M  CHG  2  48   1  50  -1
M  END

>  <Chemical Name>
CHEMBL2112220

>  <PubChem CID>
10327403

>  <Formula>
C35H42N8O6S

>  <Molecular Weight>
702.831000

>  <IUPAC Name>
1-[4-[2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-ylcarbamoyl)hydrazinyl]-3-nitrophenyl]sulfonyl-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]pyrrole-2-carboxamide

>  <XlogP>
5.100

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C)CCCN(C)CCNC(=O)C1=CC=CN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=O)NC3C4=CC=CC=C4CCC5=CC=CC=C35)[N+](=O)[O-]

>  <Isomeric SMILES>
CN(C)CCCN(C)CCNC(=O)C1=CC=CN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=O)NC3C4=CC=CC=C4CCC5=CC=CC=C35)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C35H42N8O6S/c1-40(2)20-9-21-41(3)23-19-36-34(44)31-14-8-22-42(31)50(48,49)27-17-18-30(32(24-27)43(46)47)38-39-35(45)37-33-28-12-6-4-10-25(28)15-16-26-11-5-7-13-29(26)33/h4-8,10-14,17-18,22,24,33,38H,9,15-16,19-21,23H2,1-3H3,(H,36,44)(H2,37,39,45)

>  <InChI Key>
BGSDZPMYFKKCJO-UHFFFAOYSA-N

