
 CHEMBL185876

 80 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL185876

>  <PubChem CID>
3174463

>  <Formula>
C32H41FN4O2

>  <Molecular Weight>
532.704000

>  <IUPAC Name>
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(diethylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)CCCN(C(C1=CC=C(C=C1)F)C(=O)NC2CCCCC2)C(=O)C3=CC=C(N3)C4=CC=CC=C4

>  <Isomeric SMILES>
CCN(CC)CCCN(C(C1=CC=C(C=C1)F)C(=O)NC2CCCCC2)C(=O)C3=CC=C(N3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C32H41FN4O2/c1-3-36(4-2)22-11-23-37(32(39)29-21-20-28(35-29)24-12-7-5-8-13-24)30(25-16-18-26(33)19-17-25)31(38)34-27-14-9-6-10-15-27/h5,7-8,12-13,16-21,27,30,35H,3-4,6,9-11,14-15,22-23H2,1-2H3,(H,34,38)

>  <InChI Key>
AIYPAHQFSXORFN-UHFFFAOYSA-N

