
 CHEMBL189378

 61 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL189378

>  <PubChem CID>
44400189

>  <Formula>
C30H27NO3

>  <Molecular Weight>
449.550000

>  <IUPAC Name>
2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenyl]acetic acid

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC=C(C(C1)CC2=CC=CC(=C2)CC(=O)O)C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CC=C([C@@H](C1)CC2=CC=CC(=C2)CC(=O)O)C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H27NO3/c32-27(33)20-22-11-9-10-21(18-22)19-25-16-7-8-17-26(25)30-31-28(23-12-3-1-4-13-23)29(34-30)24-14-5-2-6-15-24/h1-6,9-15,17-18,25H,7-8,16,19-20H2,(H,32,33)/t25-/m0/s1

>  <InChI Key>
CSDQJTVCSKACSP-VWLOTQADSA-N

