
 SCHEMBL6837152

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL6837152

>  <PubChem CID>
56592115

>  <Formula>
C29H29Cl2F3N4O2

>  <Molecular Weight>
593.472000

>  <IUPAC Name>
[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanone

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1(CN(CC1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)COC5=NC=C(C=C5)Cl

>  <Isomeric SMILES>
C[C@@]1(CN(C[C@@H]1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)COC5=NC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C29H29Cl2F3N4O2/c1-28(18-40-26-9-7-23(31)15-36-26)17-38(16-24(28)19-2-5-22(30)6-3-19)27(39)20-10-12-37(13-11-20)25-8-4-21(14-35-25)29(32,33)34/h2-9,14-15,20,24H,10-13,16-18H2,1H3/t24-,28-/m1/s1

>  <InChI Key>
AXZRKMLGUZQSDI-UFHPHHKVSA-N

