
 CHEMBL1081680

 46 49  0  0  0  0  0  0  0  0999 V2000
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   -2.7684    1.5282   -0.6894 C   0  0  0  0  0
   -1.7940    0.5302   -1.3141 C   0  0  0  0  0
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   -1.6065   -1.8263   -0.4145 C   0  0  0  0  0
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    0.5595   -2.6592    0.4950 C   0  0  0  0  0
    1.0807   -1.2527    0.3810 C   0  0  0  0  0
    0.2622   -0.1789    0.0462 C   0  0  0  0  0
    0.7476    1.0777   -0.0450 N   0  0  0  0  0
    2.0455    1.2574    0.1877 C   0  0  0  0  0
    2.9133    0.2889    0.4663 N   0  0  0  0  0
    2.4318   -0.9616    0.5772 C   0  0  0  0  0
    3.3264   -2.0124    0.8742 N   0  0  0  0  0
    4.4751   -1.6178    1.7182 C   0  0  0  0  0
    5.7093   -1.7661    0.8336 C   0  0  0  0  0
    5.3246   -2.9441   -0.0500 C   0  0  0  0  0
    3.8515   -2.6151   -0.3700 C   0  0  0  0  0
    6.2129   -3.0909   -1.2006 N   0  0  0  0  0
    2.5361    2.5425    0.0693 N   0  0  0  0  0
   -3.1701    1.9936    1.4007 H   0  0  0  0  0
   -1.5013    2.2898    0.8872 H   0  0  0  0  0
   -3.7914    1.1395   -0.7651 H   0  0  0  0  0
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    3.7991   -1.9205   -1.2204 H   0  0  0  0  0
    3.2980   -3.5231   -0.6321 H   0  0  0  0  0
    6.2120   -2.2317   -1.7504 H   0  0  0  0  0
    5.8599   -3.8227   -1.8163 H   0  0  0  0  0
    3.5149    2.5055   -0.1751 H   0  0  0  0  0
    1.9246    3.0749   -0.5331 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1081680

>  <PubChem CID>
44231733

>  <Formula>
C16H25N5

>  <Molecular Weight>
287.411000

>  <IUPAC Name>
4-[(3R)-3-aminopyrrolidin-1-yl]spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC2(C1)CCCC3=C2N=C(N=C3N4CCC(C4)N)N

>  <Isomeric SMILES>
C1CCC2(C1)CCCC3=C2N=C(N=C3N4CC[C@H](C4)N)N

>  <InChI Std. ID>
InChI=1S/C16H25N5/c17-11-5-9-21(10-11)14-12-4-3-8-16(6-1-2-7-16)13(12)19-15(18)20-14/h11H,1-10,17H2,(H2,18,19,20)/t11-/m1/s1

>  <InChI Key>
VYKIJFGQXTUGSK-LLVKDONJSA-N

