
 CHEMBL1813124

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

>  <Chemical Name>
CHEMBL1813124

>  <PubChem CID>
56675229

>  <Formula>
C28H25ClN2O5

>  <Molecular Weight>
504.967000

>  <IUPAC Name>
2-[1-[3-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-3-yl]acetic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)OCC4CN(C5=CC=CC=C5O4)C)Cl)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)OC[C@@H]4CN(C5=CC=CC=C5O4)C)Cl)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C28H25ClN2O5/c1-17-21(14-27(32)33)20-7-3-4-8-23(20)31(17)28(34)18-11-12-25(22(29)13-18)35-16-19-15-30(2)24-9-5-6-10-26(24)36-19/h3-13,19H,14-16H2,1-2H3,(H,32,33)/t19-/m0/s1

>  <InChI Key>
SNSGVPMIGUZIHF-IBGZPJMESA-N

