
 CHEMBL1794814

 64 64  0  0  0  0  0  0  0  0999 V2000
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    0.5221    0.6692    2.8841 H   0  0  0  0  0
    2.2454    0.5263    2.8322 H   0  0  0  0  0
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  1  2  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1794814

>  <PubChem CID>
56672907

>  <Formula>
C26H26FN3O8

>  <Molecular Weight>
527.505000

>  <IUPAC Name>
(Z)-but-2-enedioic acid;N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC(=CC=C3)F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

>  <Isomeric SMILES>
CN(CC1=CN=C(N1)C2=CC(=CC=C2)F)CC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H18FN3.2C4H4O4/c1-22(12-14-6-3-2-4-7-14)13-17-11-20-18(21-17)15-8-5-9-16(19)10-15;2*5-3(6)1-2-4(7)8/h2-11H,12-13H2,1H3,(H,20,21);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

>  <InChI Key>
KRZYVHFZRHATQV-SPIKMXEPSA-N

