General Information of the Compound
| Compound ID |
CP0083969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3741723
Show/Hide
|
||||||||||||||||||
| Formula |
C22H22N4O4S
|
||||||||||||||||||
| Molecular Weight |
438.509
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)C(=O)Nc1nnc(Cc2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O4S/c27-20(24-22-26-25-19(31-22)12-14-4-2-1-3-5-14)16-8-11-18(23-13-16)30-17-9-6-15(7-10-17)21(28)29/h1-5,8,11,13,15,17H,6-7,9-10,12H2,(H,28,29)(H,24,26,27)/t15-,17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBZRMGPGGMJHMI-WOVMCDHWSA-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