
 CHEMBL308111

 48 52  0  0  0  0  0  0  0  0999 V2000
   -2.5515    0.8276   -0.9595 C   0  0  0  0  0
   -2.6236   -0.5462   -0.7388 C   0  0  0  0  0
   -1.5226   -1.2335   -0.2227 C   0  0  0  0  0
   -0.3333   -0.5531    0.0617 C   0  0  0  0  0
   -0.2972    0.8464   -0.0685 C   0  0  0  0  0
   -1.3955    1.5275   -0.6148 C   0  0  0  0  0
    0.8534    1.6469    0.4546 C   0  0  0  0  0
    2.0958    1.3910    0.1982 N   0  0  0  0  0
    2.3766    0.2421   -0.6507 C   0  0  0  0  0
    2.0918   -1.0468    0.1697 C   0  0  0  0  0
    2.9687   -1.8308    0.5415 O   0  0  0  0  0
    0.7717   -1.3343    0.4403 N   0  0  0  0  0
    3.7625    0.3317   -1.0152 N   0  0  0  0  0
    4.1954   -0.0992   -2.2392 C   0  0  0  0  0
    3.4274   -0.4763   -3.1200 O   0  0  0  0  0
    5.6253   -0.0666   -2.4463 C   0  0  0  0  0
    6.6866    0.3097   -1.6409 C   0  0  0  0  0
    7.8938    0.1289   -2.3751 C   0  0  0  0  0
    7.5396   -0.3491   -3.6359 C   0  0  0  0  0
    6.1707   -0.4524   -3.6521 N   0  0  0  0  0
    8.4788   -0.6423   -4.6325 C   0  0  0  0  0
    9.8260   -0.4425   -4.3215 C   0  0  0  0  0
   10.1988    0.0326   -3.0697 C   0  0  0  0  0
    9.2561    0.3270   -2.0843 C   0  0  0  0  0
   11.4995    0.2120   -2.8013 F   0  0  0  0  0
    0.5756    2.8136    1.3487 C   0  0  0  0  0
    1.4382    3.9184    1.3074 C   0  0  0  0  0
    1.2244    5.0110    2.1521 C   0  0  0  0  0
    0.1534    5.0058    3.0459 C   0  0  0  0  0
   -0.6995    3.9045    3.1022 C   0  0  0  0  0
   -0.4810    2.8134    2.2633 C   0  0  0  0  0
   -1.2975    1.7567    2.3839 F   0  0  0  0  0
   -3.4030    1.3563   -1.3813 H   0  0  0  0  0
   -3.5330   -1.0885   -0.9880 H   0  0  0  0  0
   -1.5913   -2.3113   -0.0960 H   0  0  0  0  0
   -1.3660    2.6043   -0.7622 H   0  0  0  0  0
    1.7714    0.2391   -1.5647 H   0  0  0  0  0
    0.6252   -2.2798    0.7703 H   0  0  0  0  0
    4.4119    0.4454   -0.2551 H   0  0  0  0  0
    6.6178    0.6750   -0.6249 H   0  0  0  0  0
    5.6143   -0.7703   -4.4354 H   0  0  0  0  0
    8.1786   -1.0137   -5.6070 H   0  0  0  0  0
   10.5947   -0.6591   -5.0574 H   0  0  0  0  0
    9.5807    0.6958   -1.1177 H   0  0  0  0  0
    2.2838    3.9290    0.6222 H   0  0  0  0  0
    1.9010    5.8622    2.1176 H   0  0  0  0  0
   -0.0078    5.8538    3.7073 H   0  0  0  0  0
   -1.5265    3.8810    3.8055 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
  9 37  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 24  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
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 22 23  1  0  0  0
 22 43  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 24 44  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  2  0  0  0
 28 46  1  0  0  0
 29 30  1  0  0  0
 29 47  1  0  0  0
 30 31  2  0  0  0
 30 48  1  0  0  0
 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL308111

>  <PubChem CID>
14208229

>  <Formula>
C24H16F2N4O2

>  <Molecular Weight>
430.415000

>  <IUPAC Name>
5-fluoro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=NC(C(=O)N2)NC(=O)C3=CC4=C(N3)C=CC(=C4)F)C5=CC=CC=C5F

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=NC(C(=O)N2)NC(=O)C3=CC4=C(N3)C=CC(=C4)F)C5=CC=CC=C5F

>  <InChI Std. ID>
InChI=1S/C24H16F2N4O2/c25-14-9-10-18-13(11-14)12-20(27-18)23(31)30-22-24(32)28-19-8-4-2-6-16(19)21(29-22)15-5-1-3-7-17(15)26/h1-12,22,27H,(H,28,32)(H,30,31)

>  <InChI Key>
BREILUJQHRSCPS-UHFFFAOYSA-N

