
 CHEMBL3909260

 56 61  0  0  0  0  0  0  0  0999 V2000
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   -0.5553   -0.2148   -2.5918 C   0  0  0  0  0
    0.2598    0.8526   -2.4216 N   0  0  0  0  0
    5.9021    6.1576   -4.1361 H   0  0  0  0  0
    5.4728    6.4549   -1.7205 H   0  0  0  0  0
    3.8275    5.0265   -0.5376 H   0  0  0  0  0
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    2.5418    3.0573    0.0161 H   0  0  0  0  0
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  2 38  1  0  0  0
  3  4  2  0  0  0
  3 39  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
  6 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3909260

>  <PubChem CID>
89554772

>  <Formula>
C29H20FN5O

>  <Molecular Weight>
473.511000

>  <IUPAC Name>
4-(4-fluorophenyl)-7-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C(=C1)N=C(N2CC3=CC4=C(C=C3)C(=CC(=N4)C(=O)N)C5=CC=C(C=C5)F)C6=CC=CC=N6

>  <Isomeric SMILES>
C1=CC=C2C(=C1)N=C(N2CC3=CC4=C(C=C3)C(=CC(=N4)C(=O)N)C5=CC=C(C=C5)F)C6=CC=CC=N6

>  <InChI Std. ID>
InChI=1S/C29H20FN5O/c30-20-11-9-19(10-12-20)22-16-26(28(31)36)33-25-15-18(8-13-21(22)25)17-35-27-7-2-1-5-23(27)34-29(35)24-6-3-4-14-32-24/h1-16H,17H2,(H2,31,36)

>  <InChI Key>
AXZSHLZFGWIKBF-UHFFFAOYSA-N

