
 SCHEMBL6837264

 60 64  0  0  0  0  0  0  0  0999 V2000
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    7.9722   11.1682    2.9587 H   0  0  0  0  0
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    7.3378    5.7147    0.5549 H   0  0  0  0  0
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   10.6030   -0.2121   -1.3093 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6837264

>  <PubChem CID>
56592117

>  <Formula>
C27H24Cl2N4O3

>  <Molecular Weight>
523.414000

>  <IUPAC Name>
[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)N3CC(C(C3)(C)COC4=NC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)N3C[C@@H]([C@@](C3)(C)COC4=NC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C27H24Cl2N4O3/c1-17-31-25(32-36-17)19-3-5-20(6-4-19)26(34)33-14-23(18-7-9-21(28)10-8-18)27(2,15-33)16-35-24-12-11-22(29)13-30-24/h3-13,23H,14-16H2,1-2H3/t23-,27-/m1/s1

>  <InChI Key>
AYIOTEKTRIMPPZ-YIXXDRMTSA-N

