General Information of the Compound
| Compound ID |
CP0569038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[13-(2-methoxy-5-nitroanilino)-3,12-dithia-5,14-diazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6),4,13-tetraen-4-yl]-2,2-dimethylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N5O4S2
|
||||||||||||||||||
| Molecular Weight |
487.607
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1Nc1nc-2c(CCCCc3nc(NC(=O)C(C)(C)C)sc-23)s1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N5O4S2/c1-22(2,3)19(28)26-21-23-13-7-5-6-8-16-17(18(13)33-21)25-20(32-16)24-14-11-12(27(29)30)9-10-15(14)31-4/h9-11H,5-8H2,1-4H3,(H,24,25)(H,23,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHUBRONSUNLCJT-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