
 SCHEMBL15776122

 47 50  0  0  0  0  0  0  0  0999 V2000
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    2.8531   -1.8592   -0.2958 C   0  0  0  0  0
    2.1982   -1.6495    1.0385 C   0  0  0  0  0
    2.7662   -0.5251    1.7122 O   0  0  0  0  0
    3.9628   -0.7620    2.3653 C   0  0  0  0  0
    4.7173    0.3762    2.6977 C   0  0  0  0  0
    5.9568    0.1243    3.2973 C   0  0  0  0  0
    6.3522   -1.1770    3.5970 C   0  0  0  0  0
    5.4884   -2.2217    3.2918 C   0  0  0  0  0
    4.3052   -2.0371    2.6625 N   0  0  0  0  0
    5.8957   -3.6168    3.6757 C   0  0  0  0  0
    7.0841   -3.8368    3.9266 O   0  0  0  0  0
    4.9516   -4.6232    3.8145 N   0  0  0  0  0
    3.5072   -4.5205    3.6361 C   0  0  0  0  0
    2.9612   -5.8877    4.0213 C   0  0  0  0  0
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    6.3812   -5.2880    6.2458 N   0  0  0  0  0
    2.7230   -5.9128    5.3593 F   0  0  0  0  0
    4.2264    1.7791    2.4074 C   0  0  0  0  0
    3.2546    2.4110    3.3825 C   0  0  0  0  0
    4.6353    2.9729    3.2402 C   0  0  0  0  0
    2.4161   -2.9466   -2.1959 H   0  0  0  0  0
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    3.0178    1.8837    4.3008 H   0  0  0  0  0
    2.4252    2.9775    2.9761 H   0  0  0  0  0
    4.7428    3.9263    2.7342 H   0  0  0  0  0
    5.3104    2.8485    4.0781 H   0  0  0  0  0
  1  3  1  0  0  0
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  1 26  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL15776122

>  <PubChem CID>
90203522

>  <Formula>
C18H22FN3O3

>  <Molecular Weight>
347.390000

>  <IUPAC Name>
(2S,4R)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4-fluoropyrrolidine-2-carboxamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC1COC2=C(C=CC(=N2)C(=O)N3CC(CC3C(=O)N)F)C4CC4

>  <Isomeric SMILES>
C1CC1COC2=C(C=CC(=N2)C(=O)N3C[C@@H](C[C@H]3C(=O)N)F)C4CC4

>  <InChI Std. ID>
InChI=1S/C18H22FN3O3/c19-12-7-15(16(20)23)22(8-12)18(24)14-6-5-13(11-3-4-11)17(21-14)25-9-10-1-2-10/h5-6,10-12,15H,1-4,7-9H2,(H2,20,23)/t12-,15+/m1/s1

>  <InChI Key>
AGFOWDLWXFQXDY-DOMZBBRYSA-N

