
 CHEMBL3961183

 86 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3961183

>  <PubChem CID>
136992583

>  <Formula>
C38H35Cl2FN6O2S2

>  <Molecular Weight>
761.756000

>  <IUPAC Name>
1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea

>  <XlogP>
10.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)(C)CN1CCC2(CC1)CN(C3=C2C(=C(C=C3O)F)C4=NC5=C(S4)C=CC(=C5)Cl)C6=CC=CC=C6NC(=O)NC7=NC8=C(S7)C=C(C=C8)Cl

>  <Isomeric SMILES>
CC(C)(C)CN1CCC2(CC1)CN(C3=C2C(=C(C=C3O)F)C4=NC5=C(S4)C=CC(=C5)Cl)C6=CC=CC=C6NC(=O)NC7=NC8=C(S7)C=C(C=C8)Cl

>  <InChI Std. ID>
InChI=1S/C38H35Cl2FN6O2S2/c1-37(2,3)19-46-14-12-38(13-15-46)20-47(33-28(48)18-23(41)31(32(33)38)34-42-26-16-21(39)9-11-29(26)50-34)27-7-5-4-6-24(27)43-35(49)45-36-44-25-10-8-22(40)17-30(25)51-36/h4-11,16-18,48H,12-15,19-20H2,1-3H3,(H2,43,44,45,49)

>  <InChI Key>
AZYHDNCJZJWION-UHFFFAOYSA-N

