
 CHEMBL506201

 79 83  0  0  0  0  0  0  0  0999 V2000
    2.0526    0.3076    2.9021 C   0  0  0  0  0
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    5.0372   -5.3136    1.6525 H   0  0  0  0  0
    2.8097   -2.8581   -1.0592 H   0  0  0  0  0
    4.8432   -1.5514   -1.5823 H   0  0  0  0  0
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   13.0307   -4.7043   -0.7607 H   0  0  0  0  0
    9.7729   -6.4205   -1.3885 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL506201

>  <PubChem CID>
44578769

>  <Formula>
C35H30F4N4O6

>  <Molecular Weight>
678.641000

>  <IUPAC Name>
3-[4-[1-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]naphthalene-1-carboxylic acid;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CCOC1=CC=CC(=C1)N2C=C(N=C2C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C5=CC6=CC=CC=C6C(=C5)C(=O)O.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
CCOC1=CC=CC(=C1)N2C=C(N=C2C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C5=CC6=CC=CC=C6C(=C5)C(=O)O.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C33H29FN4O4.C2HF3O2/c1-2-42-27-8-5-7-25(19-27)38-21-30(35-31(38)22-10-12-24(34)13-11-22)32(39)37-16-14-36(15-17-37)26-18-23-6-3-4-9-28(23)29(20-26)33(40)41;3-2(4,5)1(6)7/h3-13,18-21H,2,14-17H2,1H3,(H,40,41);(H,6,7)

>  <InChI Key>
DNNOGHVXPYIKFW-UHFFFAOYSA-N

