General Information of the Compound
| Compound ID |
CP0420932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8R,9R)-6-Benzyl-7,7-dibutyl-2-dimethylamino-9-(3-ethylamino-phenyl)-5,5-dioxo-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-8-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H47N3O3S
|
||||||||||||||||||
| Molecular Weight |
577.835
|
||||||||||||||||||
| Canonical SMILES |
CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NCC)c2)c2cc(ccc2S(=O)(=O)N1Cc1ccccc1)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H47N3O3S/c1-6-9-21-34(22-10-7-2)33(38)32(27-17-14-18-28(23-27)35-8-3)30-24-29(36(4)5)19-20-31(30)41(39,40)37(34)25-26-15-12-11-13-16-26/h11-20,23-24,32-33,35,38H,6-10,21-22,25H2,1-5H3/t32-,33-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFOAMOASQZPOMD-CZNDPXEESA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound