General Information of the Compound
| Compound ID |
CP0528103
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4OS
|
||||||||||||||||||
| Molecular Weight |
362.458
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2nccn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4OS/c1-11-10-15-22-8-9-24(15)20-16(11)17(21)18(26-20)19(25)23-14-7-6-12-4-2-3-5-13(12)14/h2-5,8-10,14H,6-7,21H2,1H3,(H,23,25)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LGPLGMCWRAWTIM-AWEZNQCLSA-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