
 CHEMBL429451

 90 94  0  0  0  0  0  0  0  0999 V2000
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   12.5189   -0.2256   -4.6486 H   0  0  0  0  0
   13.3551    1.2371   -3.9978 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL429451

>  <PubChem CID>
44434693

>  <Formula>
C35H49N3O3

>  <Molecular Weight>
559.795000

>  <IUPAC Name>
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(1H-indol-3-yl)butanamide

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=C(C=CC(=C1)CN(C2CCC(CC2)CC3CCC(CC3)N)C(=O)CCCC4=CNC5=CC=CC=C54)OC

>  <Isomeric SMILES>
CCOC1=C(C=CC(=C1)CN(C2CCC(CC2)CC3CCC(CC3)N)C(=O)CCCC4=CNC5=CC=CC=C54)OC

>  <InChI Std. ID>
InChI=1S/C35H49N3O3/c1-3-41-34-22-27(15-20-33(34)40-2)24-38(30-18-13-26(14-19-30)21-25-11-16-29(36)17-12-25)35(39)10-6-7-28-23-37-32-9-5-4-8-31(28)32/h4-5,8-9,15,20,22-23,25-26,29-30,37H,3,6-7,10-14,16-19,21,24,36H2,1-2H3

>  <InChI Key>
DPVIKABSFORINW-UHFFFAOYSA-N

