General Information of the Compound
| Compound ID |
CP0373336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-(2-fluoro-benzenesulfonylamino)-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl]-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H34FN3O4S
|
||||||||||||||||||
| Molecular Weight |
611.739
|
||||||||||||||||||
| Canonical SMILES |
CN1c2ccc(NS(=O)(=O)c3ccccc3F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H34FN3O4S/c1-34(2)16-17-35(3,4)26-20-30-24(19-25(26)34)32(21-10-12-22(13-11-21)33(40)41)37-28-18-23(14-15-29(28)39(30)5)38-44(42,43)31-9-7-6-8-27(31)36/h6-15,18-20,38H,16-17H2,1-5H3,(H,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMNPRZRCWXJWCA-UHFFFAOYSA-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