
 CHEMBL240287

 85 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL240287

>  <PubChem CID>
44437622

>  <Formula>
C34H45N3O3

>  <Molecular Weight>
543.752000

>  <IUPAC Name>
3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]-1-[(4-phenylphenyl)methyl]urea

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(CO)(CO)NC(=O)N(CCC1CCN(CC1)CC2=CC=C(C=C2)C)CC3=CC=C(C=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CCC(CO)(CO)NC(=O)N(CCC1CCN(CC1)CC2=CC=C(C=C2)C)CC3=CC=C(C=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C34H45N3O3/c1-3-34(25-38,26-39)35-33(40)37(24-30-13-15-32(16-14-30)31-7-5-4-6-8-31)22-19-28-17-20-36(21-18-28)23-29-11-9-27(2)10-12-29/h4-16,28,38-39H,3,17-26H2,1-2H3,(H,35,40)

>  <InChI Key>
ANKIQEZFSWFNLV-UHFFFAOYSA-N

