
 CHEMBL467153

 48 51  0  0  0  0  0  0  0  0999 V2000
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    3.5883    1.5187    0.0899 C   0  0  0  0  0
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    1.7361   -3.4324    0.2790 C   0  0  0  0  0
    1.3290   -2.3270    1.0353 C   0  0  0  0  0
    2.0773   -1.1427    1.0418 C   0  0  0  0  0
    0.8941   -4.6560    0.3405 C   0  0  0  0  0
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    1.4577   -5.9170    0.4198 N   0  0  0  0  0
    2.8714   -6.2724    0.4199 C   0  0  0  0  0
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    0.1517   -7.5360   -0.8298 C   0  0  0  0  0
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    4.4500  -11.6469    1.0362 H   0  0  0  0  0
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    4.6981  -10.6370   -0.4062 H   0  0  0  0  0
    1.1802   -9.1832    0.9035 H   0  0  0  0  0
    1.3763   -8.0788    2.2988 H   0  0  0  0  0
   -0.2902   -6.8552    1.1392 H   0  0  0  0  0
    0.1235   -8.5761   -3.7766 H   0  0  0  0  0
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  1 29  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL467153

>  <PubChem CID>
44577874

>  <Formula>
C21H20N4O3

>  <Molecular Weight>
376.416000

>  <IUPAC Name>
[(2R,4Z)-4-methoxyimino-2-(1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(2-methylphenyl)phenyl]methanone

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3CC(=NOC)CC3C4=NC=NO4

>  <Isomeric SMILES>
CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3C/C(=N\OC)/C[C@@H]3C4=NC=NO4

>  <InChI Std. ID>
InChI=1S/C21H20N4O3/c1-14-5-3-4-6-18(14)15-7-9-16(10-8-15)21(26)25-12-17(24-27-2)11-19(25)20-22-13-23-28-20/h3-10,13,19H,11-12H2,1-2H3/b24-17-/t19-/m1/s1

>  <InChI Key>
AHPMMJNOYVXNON-RJDQKLELSA-N

