
 CHEMBL1224608

 60 63  0  0  0  0  0  0  0  0999 V2000
    9.5087   -0.5871   -1.4835 C   0  0  0  0  0
    9.3134    0.1291   -2.7909 C   0  0  0  0  0
    8.1633   -0.6198   -2.1649 C   0  0  0  0  0
    6.9915    0.1212   -1.6087 C   0  0  0  0  0
    6.5673   -0.5099   -0.3795 N   0  0  0  0  0
    5.2719   -0.3784    0.0683 C   0  0  0  0  0
    4.3765    0.1082   -0.6225 O   0  0  0  0  0
    4.9789   -0.8703    1.4924 C   0  0  0  0  0
    6.0672   -1.5630    2.1951 N   0  0  0  0  0
    6.1190   -2.9436    2.4136 C   0  0  0  0  0
    6.9443   -3.4744    3.2645 N   0  0  0  0  0
    7.7669   -2.6599    4.0397 C   0  0  0  0  0
    7.8437   -1.2889    3.8503 C   0  0  0  0  0
    6.9857   -0.7095    2.8131 C   0  0  0  0  0
    7.1028    0.4812    2.5246 O   0  0  0  0  0
    8.6419   -0.4849    4.6696 C   0  0  0  0  0
    9.3435   -1.0625    5.7262 C   0  0  0  0  0
    9.2881   -2.4447    5.9166 C   0  0  0  0  0
    8.5051   -3.2371    5.0711 C   0  0  0  0  0
   10.0708   -0.1953    6.4934 O   0  0  0  0  0
   10.2129   -0.5595    7.8683 C   0  0  0  0  0
   10.9821    0.5580    8.5736 C   0  0  0  0  0
   11.3132    0.2379    9.9494 N   0  0  0  0  0
   12.4033   -0.4509   10.4074 C   0  0  0  0  0
   12.5515   -0.5851   11.6230 O   0  0  0  0  0
   13.4195   -0.9722    9.3780 C   0  0  0  0  0
   14.3691   -1.9003   10.0035 N   0  0  0  0  0
    5.1896   -3.8942    1.7196 C   0  0  0  0  0
    4.7218   -4.9925    2.4612 C   0  0  0  0  0
    3.8640   -5.9324    1.8876 C   0  0  0  0  0
    3.4597   -5.7814    0.5646 C   0  0  0  0  0
    3.9414   -4.7125   -0.1910 C   0  0  0  0  0
    4.8256   -3.7864    0.3747 C   0  0  0  0  0
   10.0977   -1.4981   -1.4873 H   0  0  0  0  0
    9.6308    0.0169   -0.5919 H   0  0  0  0  0
    9.7736   -0.2942   -3.6765 H   0  0  0  0  0
    9.3073    1.2134   -2.7740 H   0  0  0  0  0
    7.8590   -1.5507   -2.6314 H   0  0  0  0  0
    6.1722    0.1299   -2.3354 H   0  0  0  0  0
    7.2400    1.1617   -1.3703 H   0  0  0  0  0
    7.2807   -0.6191    0.3303 H   0  0  0  0  0
    4.0899   -1.5046    1.4616 H   0  0  0  0  0
    4.7060    0.0184    2.0750 H   0  0  0  0  0
    8.6849    0.5889    4.5124 H   0  0  0  0  0
    9.8474   -2.9416    6.7025 H   0  0  0  0  0
    8.4551   -4.3117    5.2286 H   0  0  0  0  0
   10.7697   -1.4953    7.9635 H   0  0  0  0  0
    9.2265   -0.6815    8.3330 H   0  0  0  0  0
   10.3828    1.4752    8.5836 H   0  0  0  0  0
   11.9009    0.7904    8.0243 H   0  0  0  0  0
   10.6942    0.5518   10.6888 H   0  0  0  0  0
   13.9564   -0.1136    8.9642 H   0  0  0  0  0
   12.9055   -1.5038    8.5752 H   0  0  0  0  0
   14.6015   -1.5358   10.9318 H   0  0  0  0  0
   15.2338   -1.9182    9.4681 H   0  0  0  0  0
    5.0315   -5.1289    3.4954 H   0  0  0  0  0
    3.5174   -6.7815    2.4727 H   0  0  0  0  0
    2.7824   -6.5056    0.1176 H   0  0  0  0  0
    3.6369   -4.6069   -1.2303 H   0  0  0  0  0
    5.2264   -3.0077   -0.2638 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 19  1  0  0  0
 12 13  2  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
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 20 21  1  0  0  0
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 23 24  1  0  0  0
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 24 26  1  0  0  0
 24 25  2  0  0  0
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 27 54  1  0  0  0
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 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 56  1  0  0  0
 30 31  2  0  0  0
 30 57  1  0  0  0
 31 32  1  0  0  0
 31 58  1  0  0  0
 32 33  2  0  0  0
 32 59  1  0  0  0
 33 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1224608

>  <PubChem CID>
49866220

>  <Formula>
C24H27N5O4

>  <Molecular Weight>
449.511000

>  <IUPAC Name>
2-amino-N-[2-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-oxo-2-phenylquinazolin-6-yl]oxyethyl]acetamide

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1CNC(=O)CN2C(=NC3=C(C2=O)C=C(C=C3)OCCNC(=O)CN)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CC1CNC(=O)CN2C(=NC3=C(C2=O)C=C(C=C3)OCCNC(=O)CN)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H27N5O4/c25-13-21(30)26-10-11-33-18-8-9-20-19(12-18)24(32)29(15-22(31)27-14-16-6-7-16)23(28-20)17-4-2-1-3-5-17/h1-5,8-9,12,16H,6-7,10-11,13-15,25H2,(H,26,30)(H,27,31)

>  <InChI Key>
BSHQGACATZYJOG-UHFFFAOYSA-N

