
 CHEMBL3769899

 58 62  0  0  0  0  0  0  0  0999 V2000
    4.4131   -1.5459   -3.3299 C   0  0  0  0  0
    4.6660   -1.7379   -1.8821 C   0  0  0  0  0
    4.9115   -2.8670   -1.1244 C   0  0  0  0  0
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    4.6233    1.5462   -0.1395 C   0  0  0  0  0
    4.8686    0.9526    1.1865 C   0  0  0  0  0
    5.0287   -0.3709    1.3763 C   0  0  0  0  0
    4.4841    2.9375   -0.2686 N   0  0  0  0  0
    4.9392    3.5016   -1.4581 C   0  0  0  0  0
    4.8791    4.8195   -1.6825 C   0  0  0  0  0
    4.3384    5.7108   -0.6910 C   0  0  0  0  0
    3.8930    5.2145    0.4709 C   0  0  0  0  0
    3.9423    3.7496    0.7458 C   0  0  0  0  0
    3.4731    3.3707    1.8182 O   0  0  0  0  0
    4.3630    7.0263   -1.0847 O   0  0  0  0  0
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    4.0508    9.3742   -0.7504 C   0  0  0  0  0
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    5.5450   11.1558   -1.4588 C   0  0  0  0  0
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    3.1608   11.4895   -1.5466 C   0  0  0  0  0
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    4.6470   13.4036   -2.2650 C   0  0  0  0  0
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    6.0050   -5.2235   -1.0519 C   0  0  0  0  0
    4.5621   -5.4153   -0.7355 C   0  0  0  0  0
    4.4664   -2.4880   -3.8819 H   0  0  0  0  0
    5.1552   -0.8686   -3.7649 H   0  0  0  0  0
    3.4171   -1.1215   -3.4930 H   0  0  0  0  0
    4.3357    0.9756   -2.1931 H   0  0  0  0  0
    4.9596    1.6049    2.0495 H   0  0  0  0  0
    5.2203   -0.7836    2.3602 H   0  0  0  0  0
    5.3979    2.8652   -2.2075 H   0  0  0  0  0
    5.2570    5.2459   -2.6067 H   0  0  0  0  0
    3.4726    5.8100    1.2690 H   0  0  0  0  0
    4.3709    7.9453    0.7886 H   0  0  0  0  0
    2.7771    7.8096   -0.0067 H   0  0  0  0  0
    6.2085    9.2395   -0.7446 H   0  0  0  0  0
    6.5635   11.5076   -1.6066 H   0  0  0  0  0
    2.2929   12.1078   -1.7660 H   0  0  0  0  0
    1.9426    9.8441   -0.9010 H   0  0  0  0  0
    3.6585   13.8447   -2.4503 H   0  0  0  0  0
    6.3635   13.9394   -1.0144 H   0  0  0  0  0
    4.7917   14.2807   -0.2770 H   0  0  0  0  0
    5.4068   15.3186   -1.5727 H   0  0  0  0  0
    6.4289   13.0578   -3.4920 H   0  0  0  0  0
    5.4591   14.4511   -3.9859 H   0  0  0  0  0
    4.8978   12.8106   -4.3448 H   0  0  0  0  0
    4.7753   -4.4127   -2.7143 H   0  0  0  0  0
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    4.0493   -6.2624   -1.1740 H   0  0  0  0  0
    4.2277   -5.1670    0.2664 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  3  2  0  0  0
  2  6  1  0  0  0
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  3 29  1  0  0  0
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  6  7  1  0  0  0
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  7 35  1  0  0  0
  8  9  1  0  0  0
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  9 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3769899

>  <PubChem CID>
89690239

>  <Formula>
C26H27N3O2

>  <Molecular Weight>
413.521000

>  <IUPAC Name>
1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[(4-propan-2-ylphenyl)methoxy]pyridin-2-one

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)C(C)C)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)C(C)C)C5CC5

>  <InChI Std. ID>
InChI=1S/C26H27N3O2/c1-17(2)20-6-4-19(5-7-20)16-31-23-12-13-28(25(30)14-23)22-10-11-24-27-26(21-8-9-21)18(3)29(24)15-22/h4-7,10-15,17,21H,8-9,16H2,1-3H3

>  <InChI Key>
GDZWHMKDWTYIGC-UHFFFAOYSA-N

