
 CHEMBL3680187

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3680187

>  <PubChem CID>
57414487

>  <Formula>
C32H32ClFN4O3

>  <Molecular Weight>
575.081000

>  <IUPAC Name>
(4-fluorophenyl) N-[(3R,4S)-4-(4-chlorophenyl)-1-[1-(4-cyanophenyl)piperidine-4-carbonyl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(CN(CC1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C#N)N(C)C(=O)OC5=CC=C(C=C5)F

>  <Isomeric SMILES>
C[C@@]1(CN(C[C@@H]1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C#N)N(C)C(=O)OC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C32H32ClFN4O3/c1-32(36(2)31(40)41-28-13-9-26(34)10-14-28)21-38(20-29(32)23-5-7-25(33)8-6-23)30(39)24-15-17-37(18-16-24)27-11-3-22(19-35)4-12-27/h3-14,24,29H,15-18,20-21H2,1-2H3/t29-,32+/m1/s1

>  <InChI Key>
ASCLKPXIARRCAB-PPTMTGTBSA-N

