
 CHEMBL3648215

 52 55  0  0  0  0  0  0  0  0999 V2000
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    1.3857   -2.3364    2.5279 C   0  0  0  0  0
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    6.3080    3.6089    2.7175 Cl  0  0  0  0  0
   -1.0712   -0.7100   -1.7167 H   0  0  0  0  0
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    1.7431    3.2618    1.0812 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
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  2  6  1  0  0  0
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  4 14  1  0  0  0
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  5 39  1  0  0  0
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  8 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3648215

>  <PubChem CID>
58046459

>  <Formula>
C24H20Cl2N4O2

>  <Molecular Weight>
467.350000

>  <IUPAC Name>
5-[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidine-1-carbonyl]pyridine-2-carbonitrile

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(CN(CC1C2=CC=C(C=C2)Cl)C(=O)C3=CN=C(C=C3)C#N)COC4=NC=C(C=C4)Cl

>  <Isomeric SMILES>
C[C@@]1(CN(C[C@@H]1C2=CC=C(C=C2)Cl)C(=O)C3=CN=C(C=C3)C#N)COC4=NC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C24H20Cl2N4O2/c1-24(15-32-22-9-7-19(26)12-29-22)14-30(13-21(24)16-2-5-18(25)6-3-16)23(31)17-4-8-20(10-27)28-11-17/h2-9,11-12,21H,13-15H2,1H3/t21-,24-/m1/s1

>  <InChI Key>
AHSXMAQCWOVQLS-ZJSXRUAMSA-N

