
 SCHEMBL15596945

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M  END

>  <Chemical Name>
SCHEMBL15596945

>  <PubChem CID>
90062951

>  <Formula>
C30H23Cl2FN4O2S

>  <Molecular Weight>
593.498000

>  <IUPAC Name>
1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]urea

>  <XlogP>
8.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(CN(C2=C1C(=C(C=C2O)F)C3=CC=C(C=C3)Cl)C4=CC=CC=C4NC(=O)NC5=NC6=C(S5)C=C(C=C6)Cl)C

>  <Isomeric SMILES>
CC1(CN(C2=C1C(=C(C=C2O)F)C3=CC=C(C=C3)Cl)C4=CC=CC=C4NC(=O)NC5=NC6=C(S5)C=C(C=C6)Cl)C

>  <InChI Std. ID>
InChI=1S/C30H23Cl2FN4O2S/c1-30(2)15-37(27-23(38)14-19(33)25(26(27)30)16-7-9-17(31)10-8-16)22-6-4-3-5-20(22)34-28(39)36-29-35-21-12-11-18(32)13-24(21)40-29/h3-14,38H,15H2,1-2H3,(H2,34,35,36,39)

>  <InChI Key>
BFPUVQFCYIPQDZ-UHFFFAOYSA-N

