
 CHEMBL1085560

 54 57  0  0  0  0  0  0  0  0999 V2000
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    1.9550   -2.5280    1.4549 H   0  0  0  0  0
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    0.7324   -1.7683    3.2857 H   0  0  0  0  0
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    4.6979   -7.6558   -6.5112 H   0  0  0  0  0
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  2  6  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
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  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
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1085560

>  <PubChem CID>
46890475

>  <Formula>
C24H26N4

>  <Molecular Weight>
370.500000

>  <IUPAC Name>
2,6-dimethyl-5-[6-[2-[(2R)-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>
C[C@@H]1CCCN1CCC2=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/t16-/m1/s1

>  <InChI Key>
ABCLYDOXFRWKNB-MRXNPFEDSA-N

