
 CHEMBL299348

 80 84  0  0  0  0  0  0  0  0999 V2000
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    9.5060    4.9197    5.8328 H   0  0  0  0  0
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    5.7348    6.0808    4.1484 H   0  0  0  0  0
    2.2591    3.0240   -1.3329 H   0  0  0  0  0
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   -0.1672    6.8322   -0.7155 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL299348

>  <PubChem CID>
10995569

>  <Formula>
C34H36FN5O4

>  <Molecular Weight>
597.691000

>  <IUPAC Name>
methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=O)N2C(=C(N=C2N1CC3=CC=CC=C3F)C(C)(C)C(=O)OC)CN(C)CC4=CC=CC=N4)C5=CC(=CC=C5)OC

>  <Isomeric SMILES>
CC1=C(C(=O)N2C(=C(N=C2N1CC3=CC=CC=C3F)C(C)(C)C(=O)OC)CN(C)CC4=CC=CC=N4)C5=CC(=CC=C5)OC

>  <InChI Std. ID>
InChI=1S/C34H36FN5O4/c1-22-29(23-13-11-15-26(18-23)43-5)31(41)40-28(21-38(4)20-25-14-9-10-17-36-25)30(34(2,3)32(42)44-6)37-33(40)39(22)19-24-12-7-8-16-27(24)35/h7-18H,19-21H2,1-6H3

>  <InChI Key>
ARQIDWVNKFKBSP-UHFFFAOYSA-N

