
 CHEMBL487908

 79 84  0  0  0  0  0  0  0  0999 V2000
   -1.2260    3.7200   -4.7011 C   0  0  0  0  0
    0.0759    4.0000   -5.3029 N   0  0  0  0  0
    0.6137    2.8102   -5.9744 C   0  0  0  0  0
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    3.5795    2.6331   -4.8088 N   0  0  0  0  0
    4.0581    1.4165   -5.5118 C   0  0  0  0  0
    5.3541    1.6277   -6.3338 C   0  0  0  0  0
    6.3895    2.3323   -5.5663 N   0  0  0  0  0
    6.0723    2.5018   -4.1459 C   0  0  0  0  0
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    7.4209    3.0846   -6.1169 C   0  0  0  0  0
    8.0642    3.8811   -5.4326 O   0  0  0  0  0
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    8.4942    4.0791   -8.1912 C   0  0  0  0  0
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   -1.9350    3.3707   -5.4600 H   0  0  0  0  0
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    0.7685    1.9856   -5.2667 H   0  0  0  0  0
    2.2653    2.3155   -7.2853 H   0  0  0  0  0
    1.7156    3.9548   -7.4221 H   0  0  0  0  0
    3.8220    4.0839   -6.3213 H   0  0  0  0  0
    3.0265    5.2510   -4.1584 H   0  0  0  0  0
    2.2018    5.6820   -5.6320 H   0  0  0  0  0
    1.1743    3.7382   -3.4972 H   0  0  0  0  0
    0.6191    5.3848   -3.8135 H   0  0  0  0  0
    3.2812    0.9656   -6.1357 H   0  0  0  0  0
    4.2459    0.6493   -4.7476 H   0  0  0  0  0
    5.7658    0.6610   -6.6409 H   0  0  0  0  0
    5.1135    2.2011   -7.2330 H   0  0  0  0  0
    6.0645    1.5051   -3.6883 H   0  0  0  0  0
    6.8414    3.0808   -3.6245 H   0  0  0  0  0
    4.3990    3.1361   -2.9293 H   0  0  0  0  0
    4.8652    4.2509   -4.2071 H   0  0  0  0  0
    6.8435    2.7620   -8.1590 H   0  0  0  0  0
    8.0187    5.0108   -7.8584 H   0  0  0  0  0
    8.3445    4.0603   -9.2801 H   0  0  0  0  0
   10.5205    4.2061   -8.9073 H   0  0  0  0  0
   10.2196    5.1109   -7.4402 H   0  0  0  0  0
   10.6717    1.0604   -7.7103 H   0  0  0  0  0
    9.9414    1.4369   -6.1305 H   0  0  0  0  0
    8.7510    1.4804   -8.8926 H   0  0  0  0  0
    8.1347    0.7336   -7.4293 H   0  0  0  0  0
   12.4659   -1.7534   -5.4560 H   0  0  0  0  0
   14.1436   -2.6505   -3.8414 H   0  0  0  0  0
   15.7443   -1.1259   -2.7362 H   0  0  0  0  0
   15.7077    1.3125   -3.2006 H   0  0  0  0  0
   14.6949    3.4964   -3.6623 H   0  0  0  0  0
   13.6638    4.4137   -4.7201 H   0  0  0  0  0
   14.8451    5.9166   -6.1286 H   0  0  0  0  0
   16.9130    6.6630   -7.2425 H   0  0  0  0  0
   18.9219    5.2080   -7.2700 H   0  0  0  0  0
   18.8432    2.9799   -6.1854 H   0  0  0  0  0
   16.8087    2.2160   -5.0662 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL487908

>  <PubChem CID>
44579889

>  <Formula>
C31H40N6O2

>  <Molecular Weight>
528.701000

>  <IUPAC Name>
[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6

>  <Isomeric SMILES>
CN1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C31H40N6O2/c1-33-15-13-26(14-16-33)34-19-21-36(22-20-34)30(38)25-11-17-35(18-12-25)31(39)29-32-27-9-5-6-10-28(27)37(29)23-24-7-3-2-4-8-24/h2-10,25-26H,11-23H2,1H3

>  <InChI Key>
ZBCHGVJFUSYOMJ-UHFFFAOYSA-N

