
 SCHEMBL606762

 52 55  0  0  0  0  0  0  0  0999 V2000
    5.9550    5.4181   -2.6760 C   0  0  0  0  0
    6.2206    6.1532   -1.4469 N   0  0  0  0  0
    5.7412    5.4465   -0.2521 C   0  0  0  0  0
    6.4760    4.1385    0.0284 C   0  0  0  0  0
    6.1036    3.8704    1.4805 C   0  0  0  0  0
    6.1201    5.2011    2.1200 N   0  0  0  0  0
    5.9853    6.2248    1.0634 C   0  0  0  0  0
    5.1707    5.2482    3.1593 C   0  0  0  0  0
    3.9316    5.6862    2.8705 N   0  0  0  0  0
    3.0082    5.5938    3.8234 C   0  0  0  0  0
    3.2137    5.0953    5.0351 N   0  0  0  0  0
    4.4625    4.6701    5.3219 C   0  0  0  0  0
    5.5193    4.7648    4.4237 C   0  0  0  0  0
    6.9397    4.3533    4.7388 C   0  0  0  0  0
    7.5706    4.8395    6.0548 C   0  0  0  0  0
    7.3536    6.3256    6.3690 C   0  0  0  0  0
    6.6808    6.5846    7.7244 C   0  0  0  0  0
    5.1827    6.2550    7.7795 C   0  0  0  0  0
    4.8834    4.7725    7.8136 C   0  0  0  0  0
    4.9805    4.0941    9.0433 C   0  0  0  0  0
    4.7615    2.7191    9.1239 C   0  0  0  0  0
    4.4386    1.9995    7.9792 C   0  0  0  0  0
    4.3395    2.6569    6.7534 C   0  0  0  0  0
    4.5673    4.0430    6.6457 C   0  0  0  0  0
    1.7474    6.0823    3.5438 N   0  0  0  0  0
    6.2937    6.0113   -3.5316 H   0  0  0  0  0
    4.8861    5.2221   -2.8051 H   0  0  0  0  0
    6.5021    4.4709   -2.7081 H   0  0  0  0  0
    5.7638    7.0638   -1.4999 H   0  0  0  0  0
    4.6633    5.2528   -0.3417 H   0  0  0  0  0
    7.5620    4.2661   -0.0648 H   0  0  0  0  0
    6.1662    3.3188   -0.6271 H   0  0  0  0  0
    5.1081    3.4054    1.5172 H   0  0  0  0  0
    6.8209    3.1918    1.9537 H   0  0  0  0  0
    5.2060    6.9763    1.2343 H   0  0  0  0  0
    6.9396    6.7643    1.0126 H   0  0  0  0  0
    6.9951    3.2579    4.7012 H   0  0  0  0  0
    7.6132    4.7092    3.9500 H   0  0  0  0  0
    7.2674    4.1978    6.8859 H   0  0  0  0  0
    8.6530    4.6659    5.9729 H   0  0  0  0  0
    6.8009    6.8411    5.5760 H   0  0  0  0  0
    8.3400    6.8071    6.3994 H   0  0  0  0  0
    7.2238    6.0542    8.5166 H   0  0  0  0  0
    6.7878    7.6553    7.9424 H   0  0  0  0  0
    4.7629    6.7028    8.6908 H   0  0  0  0  0
    4.6538    6.7504    6.9577 H   0  0  0  0  0
    5.2364    4.6400    9.9490 H   0  0  0  0  0
    4.8417    2.2105   10.0812 H   0  0  0  0  0
    4.2608    0.9291    8.0376 H   0  0  0  0  0
    4.0760    2.0838    5.8660 H   0  0  0  0  0
    1.2928    6.3252    4.4142 H   0  0  0  0  0
    1.8181    6.8056    2.8428 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL606762

>  <PubChem CID>
44568809

>  <Formula>
C20H27N5

>  <Molecular Weight>
337.471000

>  <IUPAC Name>


>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNC1CCN(C1)C2=NC(=NC3=C2CCCCCC4=CC=CC=C43)N

>  <Isomeric SMILES>
CN[C@@H]1CCN(C1)C2=NC(=NC3=C2CCCCCC4=CC=CC=C43)N

>  <InChI Std. ID>
InChI=1S/C20H27N5/c1-22-15-11-12-25(13-15)19-17-10-4-2-3-7-14-8-5-6-9-16(14)18(17)23-20(21)24-19/h5-6,8-9,15,22H,2-4,7,10-13H2,1H3,(H2,21,23,24)/t15-/m1/s1

>  <InChI Key>
CSUVVGDMOKCABC-OAHLLOKOSA-N

