
 CHEMBL3600451

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.8632   -1.9532    1.5048 C   0  0  0  0  0
    0.1334   -0.6819    1.9258 C   0  0  0  0  0
    0.4748    0.2894    0.7926 C   0  0  0  0  0
    1.8301   -0.1142    0.3869 N   0  0  0  0  0
    2.1710   -1.4165    0.9437 C   0  0  0  0  0
    2.7051    0.7749   -0.1988 C   0  0  0  0  0
    2.3100    1.8681   -0.6204 O   0  0  0  0  0
    4.1587    0.3187   -0.4271 C   0  0  0  0  0
    4.2634   -0.2499   -1.8506 C   0  0  0  0  0
    5.6286   -0.7736   -2.1510 C   0  0  0  0  0
    6.2259   -1.9961   -1.9191 C   0  0  0  0  0
    7.5233   -1.9919   -2.3665 N   0  0  0  0  0
    7.7259   -0.7889   -2.8496 C   0  0  0  0  0
    6.6087   -0.0128   -2.7416 N   0  0  0  0  0
    5.5174   -3.3524   -1.1781 Cl  0  0  0  0  0
    5.0573    1.4569   -0.2460 N   0  0  0  0  0
    5.6461    1.7321    0.9691 C   0  0  0  0  0
    5.4594    1.0681    1.9815 O   0  0  0  0  0
    6.5651    2.9047    0.9623 C   0  0  0  0  0
    6.7754    3.5286   -0.2367 N   0  0  0  0  0
    7.6680    4.5467   -0.1917 C   0  0  0  0  0
    8.3146    4.9285    0.9755 C   0  0  0  0  0
    8.0985    4.3127    2.1606 N   0  0  0  0  0
    7.2095    3.2866    2.1295 C   0  0  0  0  0
   -0.5659    0.2047   -0.3474 C   0  0  0  0  0
   -1.7601   -0.0151   -0.1683 O   0  0  0  0  0
   -0.1235    0.5505   -1.5938 N   0  0  0  0  0
    1.0163   -2.6529    2.3307 H   0  0  0  0  0
    0.2956   -2.4673    0.7196 H   0  0  0  0  0
    0.5585   -0.3160    2.8689 H   0  0  0  0  0
   -0.9365   -0.8477    2.0780 H   0  0  0  0  0
    0.4823    1.3267    1.1473 H   0  0  0  0  0
    2.5951   -2.0636    0.1711 H   0  0  0  0  0
    2.9078   -1.2699    1.7404 H   0  0  0  0  0
    4.4395   -0.4425    0.3056 H   0  0  0  0  0
    4.0016    0.5236   -2.5855 H   0  0  0  0  0
    3.5293   -1.0537   -1.9879 H   0  0  0  0  0
    8.6487   -0.4246   -3.2816 H   0  0  0  0  0
    6.5327    0.9542   -3.0279 H   0  0  0  0  0
    5.0687    2.2091   -0.9290 H   0  0  0  0  0
    7.8608    5.0556   -1.1300 H   0  0  0  0  0
    9.0307    5.7432    0.9879 H   0  0  0  0  0
    7.0406    2.7757    3.0717 H   0  0  0  0  0
    0.7027    1.1379   -1.6623 H   0  0  0  0  0
   -0.8356    0.6581   -2.3033 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 16  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
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 19 20  2  0  0  0
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 27 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3600451

>  <PubChem CID>
122184251

>  <Formula>
C16H18ClN7O3

>  <Molecular Weight>
391.816000

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

>  <XlogP>
-0.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C(CC2=C(N=CN2)Cl)NC(=O)C3=NC=CN=C3)C(=O)N

>  <Isomeric SMILES>
C1C[C@H](N(C1)C(=O)[C@H](CC2=C(N=CN2)Cl)NC(=O)C3=NC=CN=C3)C(=O)N

>  <InChI Std. ID>
InChI=1S/C16H18ClN7O3/c17-13-9(21-8-22-13)6-10(23-15(26)11-7-19-3-4-20-11)16(27)24-5-1-2-12(24)14(18)25/h3-4,7-8,10,12H,1-2,5-6H2,(H2,18,25)(H,21,22)(H,23,26)/t10-,12-/m0/s1

>  <InChI Key>
SFRZOLVQYBDMAO-JQWIXIFHSA-N

