General Information of the Compound
| Compound ID |
CP0448175
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3741333
Show/Hide
|
||||||||||||||||||
| Formula |
C22H27N3O5S
|
||||||||||||||||||
| Molecular Weight |
445.541
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(COC2CCCC2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O5S/c26-20(23-22-25-24-19(31-22)13-29-16-3-1-2-4-16)14-5-9-17(10-6-14)30-18-11-7-15(8-12-18)21(27)28/h5-6,9-10,15-16,18H,1-4,7-8,11-13H2,(H,27,28)(H,23,25,26)/t15-,18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJQFOGMPALXKJA-RHNCMZPLSA-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