
 CHEMBL405289

108114  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL405289

>  <PubChem CID>
10395321

>  <Formula>
C40H53N9O6

>  <Molecular Weight>
755.921000

>  <IUPAC Name>


>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCC1C(=O)N2CCCCC2C(=O)N3CCCCC3C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CC5=CNC6=CC=CC=C65)CC7=CN=CN7

>  <Isomeric SMILES>
CCCC[C@H]1C(=O)N2CCCC[C@@H]2C(=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/C40H53N9O6/c1-2-3-12-29-38(53)49-18-9-7-15-34(49)40(55)48-17-8-6-14-32(48)37(52)46-31(21-26-23-41-24-43-26)39(54)47-19-10-16-33(47)36(51)45-30(35(50)44-29)20-25-22-42-28-13-5-4-11-27(25)28/h4-5,11,13,22-24,29-34,42H,2-3,6-10,12,14-21H2,1H3,(H,41,43)(H,44,50)(H,45,51)(H,46,52)/t29-,30+,31+,32-,33-,34+/m0/s1

>  <InChI Key>
FWBXLUTVLNUHQO-QYVXQROWSA-N

