
 CHEMBL385959

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL385959

>  <PubChem CID>
44415440

>  <Formula>
C32H41F3N4O2

>  <Molecular Weight>
570.701000

>  <IUPAC Name>
N-methyl-N-[(3S)-1-[(3R)-3-[methyl-(4-methylcyclohexyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CCC(CC1)N(C)C2CCN(C2)C(=O)N3CCC(C3)N(C)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
CC1CCC(CC1)N(C)[C@@H]2CCN(C2)C(=O)N3CC[C@@H](C3)N(C)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C32H41F3N4O2/c1-22-4-14-27(15-5-22)36(2)28-16-18-38(20-28)31(41)39-19-17-29(21-39)37(3)30(40)25-8-6-23(7-9-25)24-10-12-26(13-11-24)32(33,34)35/h6-13,22,27-29H,4-5,14-21H2,1-3H3/t22?,27?,28-,29+/m1/s1

>  <InChI Key>
ALGLCHGXJVZFRW-BYOMPTMESA-N

