
 CHEMBL509314

121128  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL509314

>  <PubChem CID>
24881619

>  <Formula>
C51H60F2N6O2

>  <Molecular Weight>
827.078000

>  <IUPAC Name>
4-fluoro-N-[3-[1-[11-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]undecyl]piperidin-4-yl]-1H-indol-5-yl]benzamide

>  <XlogP>
11.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CCCCCCCCCCCN5CCC(CC5)C6=CNC7=C6C=C(C=C7)NC(=O)C8=CC=C(C=C8)F

>  <Isomeric SMILES>
C1CN(CCC1C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CCCCCCCCCCCN5CCC(CC5)C6=CNC7=C6C=C(C=C7)NC(=O)C8=CC=C(C=C8)F

>  <InChI Std. ID>
InChI=1S/C51H60F2N6O2/c52-40-14-10-38(11-15-40)50(60)56-42-18-20-48-44(32-42)46(34-54-48)36-22-28-58(29-23-36)26-8-6-4-2-1-3-5-7-9-27-59-30-24-37(25-31-59)47-35-55-49-21-19-43(33-45(47)49)57-51(61)39-12-16-41(53)17-13-39/h10-21,32-37,54-55H,1-9,22-31H2,(H,56,60)(H,57,61)

>  <InChI Key>
BDDIKRUDYSMKIW-UHFFFAOYSA-N

