
 CHEMBL268395

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL268395

>  <PubChem CID>
44434853

>  <Formula>
C27H33N3O

>  <Molecular Weight>
415.581000

>  <IUPAC Name>
N-[(1R,2R)-2-aminocyclohexyl]-4-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(C(C1)N)N(CC=CC2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1CC[C@H]([C@@H](C1)N)N(C/C=C/C2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C27H33N3O/c28-24-15-5-7-17-26(24)30(19-9-12-21-10-2-1-3-11-21)27(31)18-8-13-22-20-29-25-16-6-4-14-23(22)25/h1-4,6,9-12,14,16,20,24,26,29H,5,7-8,13,15,17-19,28H2/b12-9+/t24-,26-/m1/s1

>  <InChI Key>
CTWATJKCCUTZQI-OAOUBSARSA-N

