
 CHEMBL3906376

 85 92  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3906376

>  <PubChem CID>
136992580

>  <Formula>
C37H35Cl2N7O2S2

>  <Molecular Weight>
744.754000

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

>  <XlogP>
9.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)(C)CN1CCC2(CC1)CN(C3=C(C=CC(=C23)C4=NC5=C(S4)C=C(C=C5)Cl)O)C6=CC=CC=C6NC(=O)NC7=NC8=C(S7)N=C(C=C8)Cl

>  <Isomeric SMILES>
CC(C)(C)CN1CCC2(CC1)CN(C3=C(C=CC(=C23)C4=NC5=C(S4)C=C(C=C5)Cl)O)C6=CC=CC=C6NC(=O)NC7=NC8=C(S7)N=C(C=C8)Cl

>  <InChI Std. ID>
InChI=1S/C37H35Cl2N7O2S2/c1-36(2,3)19-45-16-14-37(15-17-45)20-46(31-27(47)12-9-22(30(31)37)32-40-24-10-8-21(38)18-28(24)49-32)26-7-5-4-6-23(26)41-34(48)44-35-42-25-11-13-29(39)43-33(25)50-35/h4-13,18,47H,14-17,19-20H2,1-3H3,(H2,41,42,44,48)

>  <InChI Key>
AOYIMWONRDERHL-UHFFFAOYSA-N

