General Information of the Compound
| Compound ID |
CP0198035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-tert-butyl-6-methyl-9-(4-methylphenyl)-2,4,5,8,12,14-hexazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N7
|
||||||||||||||||||
| Molecular Weight |
361.453
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]nc2Nc3nc(NC(C)(C)C)ncc3C(=Nc12)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N7/c1-11-6-8-13(9-7-11)16-14-10-21-19(25-20(3,4)5)24-17(14)23-18-15(22-16)12(2)26-27-18/h6-10H,1-5H3,(H3,21,23,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTJFIGDMMIYLER-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