
 CHEMBL2079655

 56 58  0  0  0  0  0  0  0  0999 V2000
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    5.0141    1.0461    1.8288 C   0  0  0  0  0
    4.4778    1.5456    3.1820 C   0  0  0  0  0
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    5.2349    3.4654   -1.1653 C   0  0  0  0  0
    6.2284    3.5516   -2.3509 C   0  0  0  0  0
    6.1325    4.8613   -3.0259 N   0  0  0  0  0
    6.2760    6.0019   -2.1125 C   0  0  0  0  0
    5.2720    5.8879   -0.9389 C   0  0  0  0  0
    5.3808    4.6114   -0.1900 N   0  0  0  0  0
    5.1036    4.9765   -3.9612 C   0  0  0  0  0
    4.5167    3.8622   -4.4196 N   0  0  0  0  0
    3.5683    3.9615   -5.3576 C   0  0  0  0  0
    2.9630    2.8101   -5.8415 C   0  0  0  0  0
    1.9694    2.8302   -6.8356 C   0  0  0  0  0
    1.5737    4.0582   -7.3791 C   0  0  0  0  0
    2.1615    5.2282   -6.8834 C   0  0  0  0  0
    3.1549    5.1824   -5.8729 C   0  0  0  0  0
    3.7939    6.2903   -5.3161 C   0  0  0  0  0
    4.7500    6.1980   -4.3835 N   0  0  0  0  0
    3.4792    7.5978   -5.7126 N   0  0  0  0  0
    0.5898    4.0874   -8.3290 O   0  0  0  0  0
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    1.5217    1.5724   -7.1426 O   0  0  0  0  0
    0.5805    1.4118   -8.1923 C   0  0  0  0  0
    4.4685   -0.5251    0.3973 H   0  0  0  0  0
    3.0877    0.2648    1.1602 H   0  0  0  0  0
    4.0575   -0.9055    2.0714 H   0  0  0  0  0
    3.4565    1.9318    3.0848 H   0  0  0  0  0
    5.0976    2.3603    3.5754 H   0  0  0  0  0
    4.4645    0.7434    3.9290 H   0  0  0  0  0
    6.8669    0.0999    1.1232 H   0  0  0  0  0
    6.4740   -0.2580    2.8041 H   0  0  0  0  0
    7.1141    1.3342    2.3600 H   0  0  0  0  0
    4.6751    3.0838    1.1954 H   0  0  0  0  0
    4.2007    3.4657   -1.5354 H   0  0  0  0  0
    6.1050    2.7108   -3.0443 H   0  0  0  0  0
    7.2520    3.4496   -1.9653 H   0  0  0  0  0
    7.2957    5.9864   -1.7054 H   0  0  0  0  0
    6.1756    6.9720   -2.6132 H   0  0  0  0  0
    5.4476    6.7113   -0.2380 H   0  0  0  0  0
    4.2441    5.9989   -1.3049 H   0  0  0  0  0
    6.3331    4.5547    0.1782 H   0  0  0  0  0
    3.2781    1.8506   -5.4337 H   0  0  0  0  0
    1.8618    6.2003   -7.2624 H   0  0  0  0  0
    4.0625    8.2174   -5.1541 H   0  0  0  0  0
    2.4949    7.7931   -5.5689 H   0  0  0  0  0
   -0.0112    4.8957  -10.1057 H   0  0  0  0  0
    1.6518    5.3034   -9.6616 H   0  0  0  0  0
    0.2532    6.0806   -8.8229 H   0  0  0  0  0
    0.9744    1.7833   -9.1435 H   0  0  0  0  0
   -0.3799    1.8694   -7.9360 H   0  0  0  0  0
    0.4035    0.3384   -8.3145 H   0  0  0  0  0
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  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 32  1  0  0  0
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  3 34  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2079655

>  <PubChem CID>
10643994

>  <Formula>
C19H28N6O3

>  <Molecular Weight>
388.472000

>  <IUPAC Name>
(2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C)NC(=O)C1CN(CCN1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

>  <Isomeric SMILES>
CC(C)(C)NC(=O)[C@H]1CN(CCN1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

>  <InChI Std. ID>
InChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m1/s1

>  <InChI Key>
FACJCZHMOYUSSW-CYBMUJFWSA-N

