
 CHEMBL232775

 85 87  0  0  0  0  0  0  0  0999 V2000
    7.1931    2.6128    4.9740 C   0  0  0  0  0
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    9.4299    1.1373    4.7030 H   0  0  0  0  0
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    6.8516    0.1298   -0.0435 H   0  0  0  0  0
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   11.2568    4.9200   -0.7749 H   0  0  0  0  0
   11.1131    4.8252    1.6333 H   0  0  0  0  0
   11.6854    6.4768    1.8330 H   0  0  0  0  0
   13.8725    5.8550    0.8126 H   0  0  0  0  0
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   12.0355    3.8028    3.3332 H   0  0  0  0  0
   13.3301    3.9378    4.4852 H   0  0  0  0  0
   13.2808    1.6649    3.6046 H   0  0  0  0  0
   13.3615    2.2333    1.9436 H   0  0  0  0  0
   15.5242    2.4485    4.0873 H   0  0  0  0  0
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   16.8907    3.6729    2.4954 H   0  0  0  0  0
   15.6691    3.5348    1.2365 H   0  0  0  0  0
   15.4468    5.1047    3.8577 H   0  0  0  0  0
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   10.8713    9.6756    0.5345 H   0  0  0  0  0
   12.2214    8.2549   -1.6957 H   0  0  0  0  0
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   11.2672   11.1459   -1.3446 H   0  0  0  0  0
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   11.8415   12.5203   -3.2399 H   0  0  0  0  0
   11.0677   11.3162   -4.3240 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL232775

>  <PubChem CID>
44432958

>  <Formula>
C29H49N5O2

>  <Molecular Weight>
499.744000

>  <IUPAC Name>
2-(2-methoxyethylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)CCN(CCC(C)C)C(=O)C1=CC2=C(C=C1)N=C(N2CCCN3CCCCC3)NCCOC

>  <Isomeric SMILES>
CC(C)CCN(CCC(C)C)C(=O)C1=CC2=C(C=C1)N=C(N2CCCN3CCCCC3)NCCOC

>  <InChI Std. ID>
InChI=1S/C29H49N5O2/c1-23(2)12-19-33(20-13-24(3)4)28(35)25-10-11-26-27(22-25)34(29(31-26)30-14-21-36-5)18-9-17-32-15-7-6-8-16-32/h10-11,22-24H,6-9,12-21H2,1-5H3,(H,30,31)

>  <InChI Key>
ANEGFCALWBSPHV-UHFFFAOYSA-N

