
 CHEMBL490619

 78 82  0  0  0  0  0  0  0  0999 V2000
    1.2841    0.6596   -2.3447 C   0  0  0  0  0
    2.7200    1.0990   -2.1111 C   0  0  0  0  0
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    8.2791   -1.9026   -2.7627 C   0  0  0  0  0
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    6.7218    6.1433    0.6300 C   0  0  0  0  0
    6.9834    6.9260    1.7568 C   0  0  0  0  0
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    6.2364    8.8845    0.5707 C   0  0  0  0  0
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    1.0508   -0.2407   -1.7672 H   0  0  0  0  0
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    3.3930    0.3089   -2.4582 H   0  0  0  0  0
    2.7507    0.5194   -0.0291 H   0  0  0  0  0
    2.2868    2.1730   -0.2559 H   0  0  0  0  0
    4.7143    0.4280    1.1507 H   0  0  0  0  0
    6.1483    1.2500    0.6293 H   0  0  0  0  0
    6.1350   -1.7455   -2.8578 H   0  0  0  0  0
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    8.3922   -2.9149   -3.1584 H   0  0  0  0  0
    8.2657   -1.2764   -3.6666 H   0  0  0  0  0
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    8.0075    0.0598    0.2351 H   0  0  0  0  0
    7.6970    1.2895   -0.9780 H   0  0  0  0  0
   11.0817   -1.9053   -0.9062 H   0  0  0  0  0
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   10.4275   -2.7038    1.0757 H   0  0  0  0  0
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    7.5840   -3.3231    0.1969 H   0  0  0  0  0
    9.6817   -5.8069   -1.6313 H   0  0  0  0  0
    8.4363   -4.6222   -1.8733 H   0  0  0  0  0
   11.3568   -4.1167   -1.1300 H   0  0  0  0  0
   10.6045   -3.7337   -2.6537 H   0  0  0  0  0
   10.1597   -6.5671    0.5829 H   0  0  0  0  0
    9.5662   -5.6885    1.9802 H   0  0  0  0  0
   10.8846   -5.0061    1.0110 H   0  0  0  0  0
    0.2258    4.9893   -2.0955 H   0  0  0  0  0
   -0.0928    7.1420   -3.3169 H   0  0  0  0  0
    1.8553    8.5530   -3.8821 H   0  0  0  0  0
    4.1516    7.8694   -3.2334 H   0  0  0  0  0
    6.0333    6.4655   -2.6708 H   0  0  0  0  0
    6.6100    5.0435   -1.8629 H   0  0  0  0  0
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    7.3759    6.4626    2.6583 H   0  0  0  0  0
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    5.5793    8.5886   -1.4439 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL490619

>  <PubChem CID>
44579830

>  <Formula>
C30H40N6O2

>  <Molecular Weight>
516.690000

>  <IUPAC Name>
1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-propylbenzimidazole-2-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CC(=O)N1CCN(CC1)C2CCN(CC2)C)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CCCN(CC(=O)N1CCN(CC1)C2CCN(CC2)C)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H40N6O2/c1-3-15-35(23-28(37)34-20-18-33(19-21-34)25-13-16-32(2)17-14-25)30(38)29-31-26-11-7-8-12-27(26)36(29)22-24-9-5-4-6-10-24/h4-12,25H,3,13-23H2,1-2H3

>  <InChI Key>
ZCMVVJGHNMLLND-UHFFFAOYSA-N

