
 SCHEMBL17077170

 64 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17077170

>  <PubChem CID>
136970175

>  <Formula>
C30H21F3N6O2S2

>  <Molecular Weight>
618.653000

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

>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1(CN(C2=C1C(=C(C=C2O)F)C3=NC4=C(S3)C=CC(=C4)F)C5=CC=CC=C5NC(=O)NC6=NC7=C(S6)N=C(C=C7)F)C

>  <Isomeric SMILES>
CC1(CN(C2=C1C(=C(C=C2O)F)C3=NC4=C(S3)C=CC(=C4)F)C5=CC=CC=C5NC(=O)NC6=NC7=C(S6)N=C(C=C7)F)C

>  <InChI Std. ID>
InChI=1S/C30H21F3N6O2S2/c1-30(2)13-39(25-20(40)12-15(32)23(24(25)30)27-34-18-11-14(31)7-9-21(18)42-27)19-6-4-3-5-16(19)35-28(41)38-29-36-17-8-10-22(33)37-26(17)43-29/h3-12,40H,13H2,1-2H3,(H2,35,36,38,41)

>  <InChI Key>
AFKOJSSQMMFGLZ-UHFFFAOYSA-N

