General Information of the Compound
| Compound ID |
CP0554115
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11,13-dimethyl-N-[(4-methylsulfonylphenyl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O2S2
|
||||||||||||||||||
| Molecular Weight |
398.513
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3)S(C)(=O)=O)ncnc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O2S2/c1-11-8-12(2)23-19-15(11)16-17(26-19)18(22-10-21-16)20-9-13-4-6-14(7-5-13)27(3,24)25/h4-8,10H,9H2,1-3H3,(H,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPZGQNHWYFWGRG-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 | |||||||||||||||||||
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