
 SCHEMBL603307

 55 58  0  0  0  0  0  0  0  0999 V2000
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    7.3109    5.0174   -3.8127 N   0  0  0  0  0
    6.0216    5.0841   -3.0937 C   0  0  0  0  0
    5.8699    6.4622   -2.4424 C   0  0  0  0  0
    7.4522    3.7611   -4.4713 C   0  0  0  0  0
    6.9716    2.6627   -3.8630 N   0  0  0  0  0
    7.1392    1.4955   -4.4742 C   0  0  0  0  0
    7.7207    1.3320   -5.6585 N   0  0  0  0  0
    8.1818    2.4353   -6.2879 C   0  0  0  0  0
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   10.2795    1.5813   -7.3924 C   0  0  0  0  0
   10.2212    0.1714   -7.9704 C   0  0  0  0  0
    9.2305    0.2928   -9.1113 C   0  0  0  0  0
    8.1314    1.1603   -8.5145 C   0  0  0  0  0
    6.6113    0.3748   -3.8627 N   0  0  0  0  0
    6.9384    8.2114   -1.0872 N   0  0  0  0  0
    9.1496    5.6441    2.2298 H   0  0  0  0  0
    8.2072    4.3293    1.5027 H   0  0  0  0  0
    7.3812    5.6662    2.3853 H   0  0  0  0  0
    9.2543    6.7701   -1.6603 H   0  0  0  0  0
    8.4444    7.3508   -3.1109 H   0  0  0  0  0
    9.4076    5.1365   -3.4725 H   0  0  0  0  0
    8.4910    4.4433   -2.1306 H   0  0  0  0  0
    5.1952    4.9454   -3.8026 H   0  0  0  0  0
    5.9377    4.3005   -2.3316 H   0  0  0  0  0
    5.7913    7.2159   -3.2386 H   0  0  0  0  0
    4.9260    6.4933   -1.8836 H   0  0  0  0  0
    9.0725    5.6198   -5.7209 H   0  0  0  0  0
    7.6904    5.4631   -6.8107 H   0  0  0  0  0
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    8.0075    3.8266   -8.8126 H   0  0  0  0  0
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   11.0559    2.1424   -7.9266 H   0  0  0  0  0
   11.2018   -0.1774   -8.3068 H   0  0  0  0  0
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    7.4602    0.5183   -7.9318 H   0  0  0  0  0
    5.8584    0.6630   -3.2534 H   0  0  0  0  0
    6.3913   -0.3090   -4.5724 H   0  0  0  0  0
    7.0205    8.8276   -1.8950 H   0  0  0  0  0
    7.7246    8.4332   -0.4742 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL603307

>  <PubChem CID>
44231854

>  <Formula>
C19H29N5O2

>  <Molecular Weight>
359.474000

>  <IUPAC Name>
methyl 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)piperidine-4-carboxylate

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC(=O)C1(CCN(CC1)C2=NC(=NC3=C2CCCC34CCCC4)N)N

>  <Isomeric SMILES>
COC(=O)C1(CCN(CC1)C2=NC(=NC3=C2CCCC34CCCC4)N)N

>  <InChI Std. ID>
InChI=1S/C19H29N5O2/c1-26-16(25)19(21)9-11-24(12-10-19)15-13-5-4-8-18(6-2-3-7-18)14(13)22-17(20)23-15/h2-12,21H2,1H3,(H2,20,22,23)

>  <InChI Key>
DJOASKKBQKCRTC-UHFFFAOYSA-N

