
 CHEMBL3981726

 80 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3981726

>  <PubChem CID>
136992581

>  <Formula>
C34H34Cl2N6O2S2

>  <Molecular Weight>
693.706000

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

>  <XlogP>
9.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C)CN1CCC2(CC1)CN(C3=C(C=CC(=C23)C4=NC5=C(S4)C=CC=C5Cl)O)C6=CC=CC=C6NC(=O)NC7=CSC(=N7)Cl

>  <Isomeric SMILES>
CC(C)(C)CN1CCC2(CC1)CN(C3=C(C=CC(=C23)C4=NC5=C(S4)C=CC=C5Cl)O)C6=CC=CC=C6NC(=O)NC7=CSC(=N7)Cl

>  <InChI Std. ID>
InChI=1S/C34H34Cl2N6O2S2/c1-33(2,3)18-41-15-13-34(14-16-41)19-42(23-9-5-4-8-22(23)37-32(44)39-26-17-45-31(36)38-26)29-24(43)12-11-20(27(29)34)30-40-28-21(35)7-6-10-25(28)46-30/h4-12,17,43H,13-16,18-19H2,1-3H3,(H2,37,39,44)

>  <InChI Key>
BNGNOBOYPUAPNZ-UHFFFAOYSA-N

