
 CHEMBL3641727

 41 44  0  0  0  0  0  0  0  0999 V2000
   -3.5880   -0.2785   -0.7913 C   0  0  0  0  0
   -3.0448   -1.6235   -0.2895 C   0  0  0  0  0
   -1.6147   -1.6857   -0.3846 O   0  0  0  0  0
   -0.9720   -0.6138    0.3435 C   0  0  0  0  0
   -1.5363    0.7540   -0.1330 C   0  0  0  0  0
   -3.0107    0.8634   -0.0586 N   0  0  0  0  0
   -0.9740   -0.9107    1.8383 C   0  0  0  0  0
   -0.5744   -2.1850    2.2710 C   0  0  0  0  0
   -0.5673   -2.5250    3.6294 C   0  0  0  0  0
   -0.9417   -1.6028    4.6072 C   0  0  0  0  0
   -1.3154   -0.3222    4.1760 C   0  0  0  0  0
   -1.3263    0.0236    2.8178 C   0  0  0  0  0
   -1.0137   -1.9028    5.9704 N   0  0  0  0  0
   -1.0314   -3.0970    6.6863 C   0  0  0  0  0
   -1.1463   -2.9556    8.0187 N   0  0  0  0  0
   -1.2254   -4.0625    8.7721 C   0  0  0  0  0
   -1.3505   -3.9564   10.1529 C   0  0  0  0  0
   -1.4480   -5.0864   10.9738 C   0  0  0  0  0
   -1.4198   -6.3582   10.4115 C   0  0  0  0  0
   -1.2915   -6.4930    9.0325 C   0  0  0  0  0
   -1.1943   -5.3441    8.2224 C   0  0  0  0  0
   -1.0665   -5.3824    6.8465 C   0  0  0  0  0
   -0.9845   -4.2860    6.0719 N   0  0  0  0  0
   -3.3617   -0.1626   -1.8580 H   0  0  0  0  0
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   -3.3565   -1.8148    0.7440 H   0  0  0  0  0
    0.0825   -0.6390    0.0387 H   0  0  0  0  0
   -1.0828    1.5817    0.4223 H   0  0  0  0  0
   -1.2513    0.8991   -1.1832 H   0  0  0  0  0
   -3.2888    0.7745    0.9194 H   0  0  0  0  0
   -0.2747   -2.9373    1.5422 H   0  0  0  0  0
   -0.2516   -3.5283    3.9015 H   0  0  0  0  0
   -1.6216    0.4266    4.9023 H   0  0  0  0  0
   -1.6245    1.0347    2.5575 H   0  0  0  0  0
   -1.1464   -1.1333    6.6086 H   0  0  0  0  0
   -1.3752   -2.9666   10.6039 H   0  0  0  0  0
   -1.5469   -4.9664   12.0498 H   0  0  0  0  0
   -1.4980   -7.2387   11.0436 H   0  0  0  0  0
   -1.2699   -7.4859    8.5898 H   0  0  0  0  0
   -1.0296   -6.3231    6.3057 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 23  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641727

>  <PubChem CID>
68325740

>  <Formula>
C18H18N4O

>  <Molecular Weight>
306.369000

>  <IUPAC Name>
N-[4-[(2R)-morpholin-2-yl]phenyl]quinazolin-2-amine

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C=N3

>  <Isomeric SMILES>
C1CO[C@@H](CN1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C=N3

>  <InChI Std. ID>
InChI=1S/C18H18N4O/c1-2-4-16-14(3-1)11-20-18(22-16)21-15-7-5-13(6-8-15)17-12-19-9-10-23-17/h1-8,11,17,19H,9-10,12H2,(H,20,21,22)/t17-/m0/s1

>  <InChI Key>
CVJFJKFBKXBOGY-KRWDZBQOSA-N

