
 SCHEMBL17077132

 69 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17077132

>  <PubChem CID>
118365916

>  <Formula>
C28H30F3N5O2S

>  <Molecular Weight>
557.636000

>  <IUPAC Name>
1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-[7-hydroxy-3,3-dimethyl-4-(trifluoromethyl)-2H-indol-1-yl]phenyl]urea

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1(CN(C2=C(C=CC(=C21)C(F)(F)F)O)C3=CC=CC=C3NC(=O)NC4=NC5=C(S4)CN(CC5)CC6CC6)C

>  <Isomeric SMILES>
CC1(CN(C2=C(C=CC(=C21)C(F)(F)F)O)C3=CC=CC=C3NC(=O)NC4=NC5=C(S4)CN(CC5)CC6CC6)C

>  <InChI Std. ID>
InChI=1S/C28H30F3N5O2S/c1-27(2)15-36(24-21(37)10-9-17(23(24)27)28(29,30)31)20-6-4-3-5-18(20)32-25(38)34-26-33-19-11-12-35(13-16-7-8-16)14-22(19)39-26/h3-6,9-10,16,37H,7-8,11-15H2,1-2H3,(H2,32,33,34,38)

>  <InChI Key>
BMSMONSMFAGORJ-UHFFFAOYSA-N

