
 CHEMBL70549

 52 56  0  0  0  0  0  0  0  0999 V2000
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    4.4579    0.7017    1.0010 C   0  0  0  0  0
    5.4576    1.4250    1.0334 O   0  0  0  0  0
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    4.8017    0.0099    3.3287 C   0  0  0  0  0
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    3.5670    2.1037    3.7711 O   0  0  0  0  0
    5.1608    1.5464    5.2618 N   0  0  0  0  0
    6.1297    0.7062    5.8349 C   0  0  0  0  0
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    4.8494   -1.6202    8.0797 F   0  0  0  0  0
    2.8061    1.7983   -1.8829 H   0  0  0  0  0
    4.3205    2.3956   -1.1897 H   0  0  0  0  0
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    2.8163   -5.5746    5.3618 H   0  0  0  0  0
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  1  2  1  0  0  0
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  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
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  8 40  1  0  0  0
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  9 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL70549

>  <PubChem CID>
44311642

>  <Formula>
C26H20FN3O2

>  <Molecular Weight>
425.463000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(C=CC2=CC=CC=C21)C(=O)NC3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5F

>  <Isomeric SMILES>
CC1(C=CC2=CC=CC=C21)C(=O)NC3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5F

>  <InChI Std. ID>
InChI=1S/C26H20FN3O2/c1-26(15-14-16-8-2-5-11-19(16)26)25(32)30-23-24(31)28-21-13-7-4-10-18(21)22(29-23)17-9-3-6-12-20(17)27/h2-15,23H,1H3,(H,28,31)(H,30,32)

>  <InChI Key>
BTVYHNUNRZRDGJ-UHFFFAOYSA-N

