
 CHEMBL1258979

 67 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1258979

>  <PubChem CID>
23643046

>  <Formula>
C28H37NO

>  <Molecular Weight>
403.610000

>  <IUPAC Name>


>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(=CC1CC2(C3CCC4CC5=C(C4(C3(CCC2O1)C)C)NC6=CC=CC=C56)C)C

>  <Isomeric SMILES>
CC(=C[C@H]1C[C@]2([C@@H]3CC[C@H]4CC5=C([C@@]4([C@]3(CC[C@@H]2O1)C)C)NC6=CC=CC=C56)C)C

>  <InChI Std. ID>
InChI=1S/C28H37NO/c1-17(2)14-19-16-26(3)23-11-10-18-15-21-20-8-6-7-9-22(20)29-25(21)28(18,5)27(23,4)13-12-24(26)30-19/h6-9,14,18-19,23-24,29H,10-13,15-16H2,1-5H3/t18-,19-,23-,24-,26-,27-,28+/m0/s1

>  <InChI Key>
WQLADPPAYVUSAB-VSUSBFIXSA-N

