
 CHEMBL212715

 76 80  0  0  0  0  0  0  0  0999 V2000
    0.7236   -0.2858    2.1461 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL212715

>  <PubChem CID>
44415533

>  <Formula>
C32H37FN4O2

>  <Molecular Weight>
528.672000

>  <IUPAC Name>
4-(4-fluorophenyl)-N-methyl-N-[(3S)-1-[(3S)-3-(3-phenylpropylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C1CCN(C1)C(=O)N2CCC(C2)NCCCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
CN([C@H]1CCN(C1)C(=O)N2CC[C@@H](C2)NCCCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C32H37FN4O2/c1-35(31(38)27-11-9-25(10-12-27)26-13-15-28(33)16-14-26)30-18-21-37(23-30)32(39)36-20-17-29(22-36)34-19-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-16,29-30,34H,5,8,17-23H2,1H3/t29-,30-/m0/s1

>  <InChI Key>
AHRSKMNTULOVHO-KYJUHHDHSA-N

