General Information of the Compound
| Compound ID |
CP0495329
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(4-methoxyphenyl)cyclopropyl]-11,13-dimethyl-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 |
C21H20N4OS
|
||||||||||||||||||
| Molecular Weight |
376.485
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1CC1Nc1ncnc2c1sc1nc(C)cc(C)c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4OS/c1-11-8-12(2)24-21-17(11)18-19(27-21)20(23-10-22-18)25-16-9-15(16)13-4-6-14(26-3)7-5-13/h4-8,10,15-16H,9H2,1-3H3,(H,22,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHXUNEYIVZYZPT-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