
 CHEMBL3780836

 48 50  0  0  0  0  0  0  0  0999 V2000
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    2.2043    0.9778   -0.5669 C   0  0  0  0  0
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    3.2538   -0.1630   -0.5525 C   0  0  0  0  0
    3.6382   -0.5433   -1.9952 C   0  0  0  0  0
    4.3574    0.5269   -2.7526 C   0  0  0  0  0
    5.6675    0.6489   -3.1851 C   0  0  0  0  0
    5.8591    1.8357   -3.8501 N   0  0  0  0  0
    4.6910    2.4163   -3.8239 C   0  0  0  0  0
    3.7417    1.6747   -3.2006 N   0  0  0  0  0
    4.2622    3.9315   -4.4473 Cl  0  0  0  0  0
    6.9251   -0.4720   -2.9496 Cl  0  0  0  0  0
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    4.4345   -0.0933    1.6109 C   0  0  0  0  0
    3.5115   -0.6852    2.1691 O   0  0  0  0  0
    5.7435    0.2315    2.3536 C   0  0  0  0  0
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    7.7557    0.5715    1.1848 C   0  0  0  0  0
    8.6712    1.1655    0.6460 O   0  0  0  0  0
    6.6159    1.1632    1.6827 N   0  0  0  0  0
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    0.6713    2.9855   -2.7659 N   0  0  0  0  0
   -1.7602   -1.2405   -0.2207 H   0  0  0  0  0
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   -1.4628    0.9652    0.7073 H   0  0  0  0  0
   -2.3537    1.3293   -0.7827 H   0  0  0  0  0
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    5.4788    0.6554    3.3278 H   0  0  0  0  0
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    8.6023   -1.3435    1.6939 H   0  0  0  0  0
    7.3005   -1.3763    0.4592 H   0  0  0  0  0
    6.5234    2.1721    1.6954 H   0  0  0  0  0
    1.1949    3.5199   -2.0781 H   0  0  0  0  0
    0.5277    3.3980   -3.6799 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3780836

>  <PubChem CID>
127032877

>  <Formula>
C16H20Cl2N6O4

>  <Molecular Weight>
431.274000

>  <IUPAC Name>
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(2,4-dichloro-1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

>  <XlogP>
-0.500

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C(CC2=C(N=C(N2)Cl)Cl)NC(=O)C3CCC(=O)N3)C(=O)N

>  <Isomeric SMILES>
C1C[C@H](N(C1)C(=O)[C@H](CC2=C(N=C(N2)Cl)Cl)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N

>  <InChI Std. ID>
InChI=1S/C16H20Cl2N6O4/c17-12-8(22-16(18)23-12)6-9(21-14(27)7-3-4-11(25)20-7)15(28)24-5-1-2-10(24)13(19)26/h7,9-10H,1-6H2,(H2,19,26)(H,20,25)(H,21,27)(H,22,23)/t7-,9-,10-/m0/s1

>  <InChI Key>
GRDMLSZQORSINF-HGNGGELXSA-N

