
 CHEMBL2112248

105111  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2112248

>  <PubChem CID>
10372918

>  <Formula>
C39H50N10O6

>  <Molecular Weight>
754.893000

>  <IUPAC Name>


>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC(C)C1C(=O)N2C(CCC=N2)C(=O)N3CCCCC3C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CC5=CNC6=CC=CC=C65)CC7=CN=CN7

>  <Isomeric SMILES>
CC[C@H](C)[C@H]1C(=O)N2[C@H](CCC=N2)C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(=O)N1)CC5=CNC6=CC=CC=C65)CC7=CN=CN7

>  <InChI Std. ID>
InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1

>  <InChI Key>
KHZMWMBLYZHOQJ-KXQLWDMUSA-N

