
 CHEMBL1222760

 59 62  0  0  0  0  0  0  0  0999 V2000
    4.5796    1.0485    4.1883 C   0  0  0  0  0
    3.8709    0.5090    2.9474 C   0  0  0  0  0
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    9.3957    4.8815    1.1124 C   0  0  0  0  0
    8.5101    4.0925    0.4056 C   0  0  0  0  0
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    6.4303    4.4203    1.4455 O   0  0  0  0  0
   11.8588    5.2054    1.0189 N   0  0  0  0  0
   13.1497    4.8976    0.3757 C   0  0  0  0  0
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   13.5529    7.3855   -0.0623 N   0  0  0  0  0
   12.2869    7.6274    0.6750 C   0  0  0  0  0
   11.8800    6.5233    1.6844 C   0  0  0  0  0
   14.7181    7.5947    0.7945 C   0  0  0  0  0
    6.6862    1.3501   -2.2737 C   0  0  0  0  0
    6.6011   -0.0115   -1.9570 C   0  0  0  0  0
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    5.5933   -0.4588   -4.1128 C   0  0  0  0  0
    5.6863    0.8939   -4.4396 C   0  0  0  0  0
    6.2309    1.7960   -3.5232 C   0  0  0  0  0
    5.9327   -2.5754   -2.4757 Cl  0  0  0  0  0
    5.6451    1.2129    3.9945 H   0  0  0  0  0
    4.4949    0.3438    5.0223 H   0  0  0  0  0
    4.1514    2.0060    4.5047 H   0  0  0  0  0
    4.3452   -0.4380    2.6624 H   0  0  0  0  0
    1.8767    1.1612    3.5280 H   0  0  0  0  0
    2.2826   -0.4889    4.0403 H   0  0  0  0  0
    1.8962   -0.1515    2.3439 H   0  0  0  0  0
    3.4344    2.2745    1.8513 H   0  0  0  0  0
    4.5867    3.4110    0.3103 H   0  0  0  0  0
    4.6399    2.1551   -0.9228 H   0  0  0  0  0
    9.2359    2.0860   -2.1849 H   0  0  0  0  0
   11.2561    3.3464   -1.1531 H   0  0  0  0  0
    9.1207    5.4942    1.9600 H   0  0  0  0  0
   13.1481    3.9243   -0.1262 H   0  0  0  0  0
   13.9168    4.8187    1.1560 H   0  0  0  0  0
   14.5042    5.7806   -1.0790 H   0  0  0  0  0
   12.8099    6.0045   -1.4520 H   0  0  0  0  0
   12.3342    8.5946    1.1901 H   0  0  0  0  0
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   12.6014    6.4874    2.5099 H   0  0  0  0  0
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   14.7415    8.6282    1.1575 H   0  0  0  0  0
   15.6413    7.4459    0.2232 H   0  0  0  0  0
   14.7463    6.9298    1.6632 H   0  0  0  0  0
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    5.3380    1.2444   -5.4082 H   0  0  0  0  0
    6.3025    2.8488   -3.7899 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
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  8  9  1  0  0  0
  8 16  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1222760

>  <PubChem CID>
44467563

>  <Formula>
C23H28ClN5O2

>  <Molecular Weight>
441.960000

>  <IUPAC Name>
2-[3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)N3CCN(CC3)C)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)N3CCN(CC3)C)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C23H28ClN5O2/c1-16(2)25-22(30)15-29-21(17-5-4-6-18(24)11-17)14-28-13-19(12-20(28)23(29)31)27-9-7-26(3)8-10-27/h4-6,11-14,16H,7-10,15H2,1-3H3,(H,25,30)

>  <InChI Key>
AZICAVITRTWLBZ-UHFFFAOYSA-N

