
 CHEMBL2028839

 98103  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2028839

>  <PubChem CID>
70696205

>  <Formula>
C36H48N8O5S

>  <Molecular Weight>
704.891000

>  <IUPAC Name>


>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCC2C(C1)CC3N2C(=O)C4CC5=CC=CC=C5CN4C(=O)C(NC(=O)CCCNC(=O)C(NC3=O)CCCN=C(N)N)CC6=CC=CS6

>  <Isomeric SMILES>
C1CCC2C(C1)C[C@@H]3N2C(=O)[C@H]4CC5=CC=CC=C5CN4C(=O)[C@@H](NC(=O)CCCNC(=O)[C@@H](NC3=O)CCCN=C(N)N)CC6=CC=CS6

>  <InChI Std. ID>
InChI=1S/C36H48N8O5S/c37-36(38)40-16-5-12-26-32(46)39-15-6-14-31(45)41-27(20-25-11-7-17-50-25)34(48)43-21-24-10-2-1-8-22(24)18-30(43)35(49)44-28-13-4-3-9-23(28)19-29(44)33(47)42-26/h1-2,7-8,10-11,17,23,26-30H,3-6,9,12-16,18-21H2,(H,39,46)(H,41,45)(H,42,47)(H4,37,38,40)/t23?,26-,27-,28?,29-,30+/m0/s1

>  <InChI Key>
CGDIWMYCJFDISA-AVRSUQBISA-N

