
 CHEMBL1822863

 54 57  0  0  0  0  0  0  0  0999 V2000
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    1.1374   -1.5467    1.3071 C   0  0  0  0  0
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    2.7644   -3.7436   -3.5539 C   0  0  0  0  0
    2.7945   -7.1625   -4.8443 N   0  0  0  0  0
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    2.3059   -9.3743   -6.7613 C   0  0  0  0  0
    2.4244  -10.3751   -7.6843 N   0  0  0  0  0
    2.9866  -11.5524   -7.3201 C   0  0  0  0  0
    3.4564  -11.7709   -6.0324 C   0  0  0  0  0
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    2.3608   -0.7344    2.9031 H   0  0  0  0  0
    1.7287    0.4970    1.7991 H   0  0  0  0  0
    1.5888   -2.5410    1.4078 H   0  0  0  0  0
   -0.2616   -0.6434    2.7279 H   0  0  0  0  0
   -0.2966   -2.4149    2.7187 H   0  0  0  0  0
   -1.5239   -2.4960    0.6998 H   0  0  0  0  0
   -2.1644   -0.9812    1.3658 H   0  0  0  0  0
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    2.1960   -9.7234   -2.7206 H   0  0  0  0  0
    2.0880   -7.8730   -1.1116 H   0  0  0  0  0
    3.7250  -10.8970   -4.0924 H   0  0  0  0  0
    2.6057  -13.5229   -8.0860 H   0  0  0  0  0
    4.1418  -12.7906   -8.6333 H   0  0  0  0  0
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    2.4052   -7.3266   -7.3996 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1822863

>  <PubChem CID>
56664902

>  <Formula>
C24H26N4

>  <Molecular Weight>
370.500000

>  <IUPAC Name>
2,6-dimethyl-5-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]pyridine-3-carbonitrile

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCCN1CCC2=CC3=C(C=C2)N=C(C=C3)C4=C(N=C(C(=C4)C#N)C)C

>  <Isomeric SMILES>
CC1CCCN1CCC2=CC3=C(C=C2)N=C(C=C3)C4=C(N=C(C(=C4)C#N)C)C

>  <InChI Std. ID>
InChI=1S/C24H26N4/c1-16-5-4-11-28(16)12-10-19-6-8-23-20(13-19)7-9-24(27-23)22-14-21(15-25)17(2)26-18(22)3/h6-9,13-14,16H,4-5,10-12H2,1-3H3

>  <InChI Key>
ABCLYDOXFRWKNB-UHFFFAOYSA-N

