
 CHEMBL455699

 58 61  0  0  0  0  0  0  0  0999 V2000
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    0.8036    0.9501   -1.3470 N   0  0  0  0  0
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   -2.3304   -0.2030   -4.4194 F   0  0  0  0  0
   -2.4354    3.7923   -1.8328 F   0  0  0  0  0
    0.9414   -1.0458    1.4290 H   0  0  0  0  0
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    3.3762   -3.1747    0.0552 H   0  0  0  0  0
    7.4592   -4.7210   -1.3607 H   0  0  0  0  0
    7.9990   -4.0748   -2.8920 H   0  0  0  0  0
    9.7965   -4.4280   -1.1250 H   0  0  0  0  0
    9.0591   -3.1557   -0.1529 H   0  0  0  0  0
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   -4.5732    0.6385   -5.3851 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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  3 21  1  0  0  0
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  4 37  1  0  0  0
  5  6  1  0  0  0
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  6  8  1  0  0  0
  7 39  1  0  0  0
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  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL455699

>  <PubChem CID>
44563579

>  <Formula>
C26H25F2N3O2

>  <Molecular Weight>
449.502000

>  <IUPAC Name>
1-(2,6-difluorophenyl)-3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]urea

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)NC4=C(C=CC=C4F)F

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)NC4=C(C=CC=C4F)F

>  <InChI Std. ID>
InChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33)

>  <InChI Key>
BWBKKFRRYWSYQR-UHFFFAOYSA-N

