
 SCHEMBL15596961

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M  END

>  <Chemical Name>
SCHEMBL15596961

>  <PubChem CID>
136612377

>  <Formula>
C31H24F4N4O4

>  <Molecular Weight>
592.551000

>  <IUPAC Name>
1-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1(CN(C2=C(C=CC(=C21)C3=NC4=C(O3)C=C(C=C4)F)O)C5=CC=CC=C5NC(=O)NC6=CC=C(C=C6)OC(F)(F)F)C

>  <Isomeric SMILES>
CC1(CN(C2=C(C=CC(=C21)C3=NC4=C(O3)C=C(C=C4)F)O)C5=CC=CC=C5NC(=O)NC6=CC=C(C=C6)OC(F)(F)F)C

>  <InChI Std. ID>
InChI=1S/C31H24F4N4O4/c1-30(2)16-39(27-24(40)14-12-20(26(27)30)28-37-22-13-7-17(32)15-25(22)42-28)23-6-4-3-5-21(23)38-29(41)36-18-8-10-19(11-9-18)43-31(33,34)35/h3-15,40H,16H2,1-2H3,(H2,36,38,41)

>  <InChI Key>
AQPUDLXYSUGWMQ-UHFFFAOYSA-N

