
 CHEMBL89380

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.8660   -7.6196   -2.2262 C   0  0  0  0  0
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    4.8520   -4.8399    1.8104 H   0  0  0  0  0
    4.4474   -5.5348   -2.4071 H   0  0  0  0  0
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    3.2237   -2.7536    0.4687 H   0  0  0  0  0
    6.8081   -3.2807   -0.4128 H   0  0  0  0  0
    7.1483   -1.5813   -0.6800 H   0  0  0  0  0
    7.9907   -3.8975   -2.4761 H   0  0  0  0  0
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    9.6359   -0.1874   -4.5284 H   0  0  0  0  0
   11.1154   -1.0950   -4.8542 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL89380

>  <PubChem CID>
10737133

>  <Formula>
C21H34N4O

>  <Molecular Weight>
358.530000

>  <IUPAC Name>
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCN3CC4CCCCN4C3

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCN3CC4CCCCN4C3

>  <InChI Std. ID>
InChI=1S/C21H34N4O/c1-26-21-9-3-2-8-20(21)24-15-13-22(14-16-24)10-6-11-23-17-19-7-4-5-12-25(19)18-23/h2-3,8-9,19H,4-7,10-18H2,1H3

>  <InChI Key>
BSELYTAEVFSVSK-UHFFFAOYSA-N

