
 CHEMBL1209477

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1209477

>  <PubChem CID>
49862489

>  <Formula>
C26H33FN2O2S

>  <Molecular Weight>
456.620000

>  <IUPAC Name>
[(E)-(1,2-dicyclohexyl-3-thiophen-2-ylpropylidene)amino] N-(3-fluorophenyl)carbamate

>  <XlogP>
8.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)C(CC2=CC=CS2)C(=NOC(=O)NC3=CC(=CC=C3)F)C4CCCCC4

>  <Isomeric SMILES>
C1CCC(CC1)C(CC2=CC=CS2)/C(=N/OC(=O)NC3=CC(=CC=C3)F)/C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C26H33FN2O2S/c27-21-13-7-14-22(17-21)28-26(30)31-29-25(20-11-5-2-6-12-20)24(18-23-15-8-16-32-23)19-9-3-1-4-10-19/h7-8,13-17,19-20,24H,1-6,9-12,18H2,(H,28,30)/b29-25+

>  <InChI Key>
AGZVOJFYAHTCLL-XLVZBRSZSA-N

