
 CHEMBL471735

 66 70  0  0  0  0  0  0  0  0999 V2000
    2.5044   -1.2293   -0.4178 C   0  0  0  0  0
    3.5107   -0.6839    0.4245 O   0  0  0  0  0
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    4.7822    4.6766    0.1363 N   0  0  0  0  0
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    5.3132    7.1761    0.7588 C   0  0  0  0  0
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    5.8408    0.1710    1.3059 O   0  0  0  0  0
    7.2257    0.4957    1.3209 C   0  0  0  0  0
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    6.2368    2.8616    1.0932 H   0  0  0  0  0
    1.8864    1.2632   -0.6032 H   0  0  0  0  0
    6.2339    6.6525    0.4676 H   0  0  0  0  0
    5.0030    6.7892    1.7384 H   0  0  0  0  0
    6.4405    8.7969    1.6329 H   0  0  0  0  0
    6.0998    8.9976   -0.0712 H   0  0  0  0  0
    4.7279   10.5620    1.1645 H   0  0  0  0  0
    2.5180    9.8654    0.1528 H   0  0  0  0  0
    3.8897    9.6177   -0.9075 H   0  0  0  0  0
    2.4602    7.4780    0.7462 H   0  0  0  0  0
    2.4368    7.7042   -1.0129 H   0  0  0  0  0
    5.4223   10.1058    3.5702 H   0  0  0  0  0
    5.3329    8.3276    3.7013 H   0  0  0  0  0
    3.3375    8.4346    5.0579 H   0  0  0  0  0
    4.3514    9.7350    5.7197 H   0  0  0  0  0
    1.8496   10.3071    4.8577 H   0  0  0  0  0
    3.1884   11.4085    4.4795 H   0  0  0  0  0
    1.7442    9.5810    2.6287 H   0  0  0  0  0
    2.6843   11.0459    2.2824 H   0  0  0  0  0
    2.1721    2.3036   -2.9382 H   0  0  0  0  0
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    0.5934    5.5958   -2.0720 H   0  0  0  0  0
    0.0037    5.0115   -0.4986 H   0  0  0  0  0
    7.4463    1.2279    2.1038 H   0  0  0  0  0
    7.5662    0.8507    0.3419 H   0  0  0  0  0
    7.7805   -0.4178    1.5541 H   0  0  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL471735

>  <PubChem CID>
44561031

>  <Formula>
C24H35N5O2

>  <Molecular Weight>
425.577000

>  <IUPAC Name>
6,7-dimethoxy-4-piperidin-1-yl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazoline

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CCCC4)N5CCCCC5)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CCCC4)N5CCCCC5)OC

>  <InChI Std. ID>
InChI=1S/C24H35N5O2/c1-30-21-16-19-20(17-22(21)31-2)25-24(26-23(19)28-12-4-3-5-13-28)29-14-8-18(9-15-29)27-10-6-7-11-27/h16-18H,3-15H2,1-2H3

>  <InChI Key>
FGLKSDXUPOMRLA-UHFFFAOYSA-N

