General Information of the Compound
| Compound ID |
CP0501587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1209215
Show/Hide
|
||||||||||||||||||
| Formula |
C25H28N4OS
|
||||||||||||||||||
| Molecular Weight |
432.593
|
||||||||||||||||||
| Canonical SMILES |
CC(C(C)c1ccccc1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4OS/c1-16(18-8-4-3-5-9-18)17(2)24(30)29-13-20-19(21(20)14-29)12-27-25-28-23(15-31-25)22-10-6-7-11-26-22/h3-11,15-17,19-21H,12-14H2,1-2H3,(H,27,28)/t16?,17?,19-,20+,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUPJDRWMKZYPFB-ROSQCRCOSA-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