
 CHEMBL3728144

 59 63  0  0  0  0  0  0  0  0999 V2000
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    3.6934    1.1491    3.1230 C   0  0  0  0  0
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    1.2095    3.8286    7.3652 C   0  0  0  0  0
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    5.7141    1.3253    2.3865 H   0  0  0  0  0
    5.2452    2.6207    3.5018 H   0  0  0  0  0
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    0.5181   -2.0732    0.2716 H   0  0  0  0  0
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  1 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3728144

>  <PubChem CID>
11316472

>  <Formula>
C28H26N4O

>  <Molecular Weight>
434.543000

>  <IUPAC Name>
N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]naphthalene-1-carboxamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C28H26N4O/c1-4-25-31-26-18(2)16-19(3)29-27(26)32(25)17-20-12-14-22(15-13-20)30-28(33)24-11-7-9-21-8-5-6-10-23(21)24/h5-16H,4,17H2,1-3H3,(H,30,33)

>  <InChI Key>
BKQVRDBYAWSJGE-UHFFFAOYSA-N

