General Information of the Compound
| Compound ID |
CP0522516
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2012621
Show/Hide
|
||||||||||||||||||
| Formula |
C24H25N3O4S
|
||||||||||||||||||
| Molecular Weight |
451.548
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O4S/c1-31-20-12-10-19(11-13-20)23-26-27-24(32-23)25-22(30)18-8-6-17(7-9-18)16-4-2-15(3-5-16)14-21(28)29/h6-13,15-16H,2-5,14H2,1H3,(H,28,29)(H,25,27,30)/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFJNUIUZNLCBHJ-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