General Information of the Compound
| Compound ID |
CP0541561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4087063
Show/Hide
|
||||||||||||||||||
| Formula |
C21H30N4O2S
|
||||||||||||||||||
| Molecular Weight |
402.564
|
||||||||||||||||||
| Canonical SMILES |
C1CC(CCO1)c1c[nH]c2ncnc(S[C@H]3CC[C@@H](CC3)N3CCOCC3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N4O2S/c1-3-17(4-2-16(1)25-7-11-27-12-8-25)28-21-19-18(15-5-9-26-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H,22,23,24)/t16-,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOISPNUZJQEUFT-QAQDUYKDSA-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 | |||||||||||||||||||
| 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