General Information of the Compound
| Compound ID |
CP0439593
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-(3,5-bis-trifluoromethyl-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 |
C37H33F6N3O4S
|
||||||||||||||||||
| Molecular Weight |
729.743
|
||||||||||||||||||
| Canonical SMILES |
CN1c2ccc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H33F6N3O4S/c1-34(2)12-13-35(3,4)28-19-31-26(18-27(28)34)32(20-6-8-21(9-7-20)33(47)48)44-29-17-24(10-11-30(29)46(31)5)45-51(49,50)25-15-22(36(38,39)40)14-23(16-25)37(41,42)43/h6-11,14-19,45H,12-13H2,1-5H3,(H,47,48)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCCNVSBVWKFAOW-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