General Information of the Compound
| Compound ID |
CP0554350
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[13-(5-chloro-2-methoxyanilino)-3,12-dithia-5,14-diazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6),4,13-tetraen-4-yl]-2-methylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClN4O2S2
|
||||||||||||||||||
| Molecular Weight |
477.055
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)C(=O)Nc1nc2CCCCc3sc(Nc4cc(Cl)ccc4OC)nc3-c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN4O2S2/c1-4-12(2)20(28)27-22-24-14-7-5-6-8-17-18(19(14)31-22)26-21(30-17)25-15-11-13(23)9-10-16(15)29-3/h9-12H,4-8H2,1-3H3,(H,25,26)(H,24,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAAJRKNBZJCVJO-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