General Information of the Compound
| Compound ID |
CP0430755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2012601
Show/Hide
|
||||||||||||||||||
| Formula |
C23H23N3O3S
|
||||||||||||||||||
| Molecular Weight |
421.522
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N3O3S/c27-20(28)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21(29)24-23-26-25-22(30-23)19-4-2-1-3-5-19/h1-5,10-13,15-16H,6-9,14H2,(H,27,28)(H,24,26,29)/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYKWTHIUHHHQTM-WKILWMFISA-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