
 CHEMBL343173

 65 68  0  0  0  0  0  0  0  0999 V2000
    7.5136    3.8117   -3.7018 C   0  0  0  0  0
    6.1324    3.6422   -3.6211 C   0  0  0  0  0
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    4.9786  -13.9577   -2.1015 N   0  0  0  0  0
    4.2896   -3.4039   -0.2242 F   0  0  0  0  0
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    4.7216  -14.8632   -1.7196 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3  4  2  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
  9 46  1  0  0  0
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 35 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL343173

>  <PubChem CID>
11059896

>  <Formula>
C30H29FN4O

>  <Molecular Weight>
480.587000

>  <IUPAC Name>
N-[(4-carbamimidoylphenyl)methyl]-2-[2-fluoro-6-phenyl-3-(2-phenylethylamino)phenyl]acetamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)CCNC2=C(C(=C(C=C2)C3=CC=CC=C3)CC(=O)NCC4=CC=C(C=C4)C(=N)N)F

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCNC2=C(C(=C(C=C2)C3=CC=CC=C3)CC(=O)NCC4=CC=C(C=C4)C(=N)N)F

>  <InChI Std. ID>
InChI=1S/C30H29FN4O/c31-29-26(19-28(36)35-20-22-11-13-24(14-12-22)30(32)33)25(23-9-5-2-6-10-23)15-16-27(29)34-18-17-21-7-3-1-4-8-21/h1-16,34H,17-20H2,(H3,32,33)(H,35,36)

>  <InChI Key>
AQUBGXSYJSSYPL-UHFFFAOYSA-N

