
 CHEMBL305486

 84 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL305486

>  <PubChem CID>
44308881

>  <Formula>
C29H45N7O3

>  <Molecular Weight>
539.725000

>  <IUPAC Name>
2-[3-[(4R)-1-[(2R)-3-cyclohexyl-1-oxo-1-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=CC=CC=C1N2CCN(CC2)C(=O)C(CC3CCCCC3)N4C(=O)C(NC4=O)CCCN=C(N)N

>  <Isomeric SMILES>
CC(C)C1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H](CC3CCCCC3)N4C(=O)[C@H](NC4=O)CCCN=C(N)N

>  <InChI Std. ID>
InChI=1S/C29H45N7O3/c1-20(2)22-11-6-7-13-24(22)34-15-17-35(18-16-34)27(38)25(19-21-9-4-3-5-10-21)36-26(37)23(33-29(36)39)12-8-14-32-28(30)31/h6-7,11,13,20-21,23,25H,3-5,8-10,12,14-19H2,1-2H3,(H,33,39)(H4,30,31,32)/t23-,25-/m1/s1

>  <InChI Key>
DOTDYCMVAYBQQF-ILBGXUMGSA-N

