
 CHEMBL140495

 52 55  0  0  0  0  0  0  0  0999 V2000
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    2.4963   -1.5490    1.2679 H   0  0  0  0  0
    1.8861   -2.3360   -0.1822 H   0  0  0  0  0
    1.5300   -0.1728   -1.3210 H   0  0  0  0  0
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    4.3643    0.3457    0.9836 H   0  0  0  0  0
    8.2773   -0.7758    2.1725 H   0  0  0  0  0
    8.2441   -1.2935    0.4973 H   0  0  0  0  0
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    8.1260   -5.9732    1.0508 H   0  0  0  0  0
    8.4384   -3.6677    0.2264 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL140495

>  <PubChem CID>
15167797

>  <Formula>
C24H22FN3O2

>  <Molecular Weight>
403.457000

>  <IUPAC Name>
benzyl N-[[5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]methyl]carbamate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(N=C(C2=CC=CC=C2N1)C3=CC=CC=C3F)CNC(=O)OCC4=CC=CC=C4

>  <Isomeric SMILES>
C1C(N=C(C2=CC=CC=C2N1)C3=CC=CC=C3F)CNC(=O)OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23-20-11-5-7-13-22(20)26-14-18(28-23)15-27-24(29)30-16-17-8-2-1-3-9-17/h1-13,18,26H,14-16H2,(H,27,29)

>  <InChI Key>
AHHXPJAEVZEJBL-UHFFFAOYSA-N

