
 CHEMBL1086105

 57 61  0  0  0  0  0  0  0  0999 V2000
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    0.6554    1.1430    1.5957 H   0  0  0  0  0
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  1 34  1  0  0  0
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  2  7  1  0  0  0
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  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1086105

>  <PubChem CID>
46890166

>  <Formula>
C24H26FN5O

>  <Molecular Weight>
419.504000

>  <IUPAC Name>
5-[3-[4-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-3-methylphenoxy]propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OCCCN2CCC3=C(C2)NC=N3)C4=NC5=C(N4)C=CC(=C5C)F

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OCCCN2CCC3=C(C2)NC=N3)C4=NC5=C(N4)C=CC(=C5C)F

>  <InChI Std. ID>
InChI=1S/C24H26FN5O/c1-15-12-17(31-11-3-9-30-10-8-20-22(13-30)27-14-26-20)4-5-18(15)24-28-21-7-6-19(25)16(2)23(21)29-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,26,27)(H,28,29)

>  <InChI Key>
MGPIMNVSULKFFK-UHFFFAOYSA-N

