General Information of the Compound
| Compound ID |
CP0544106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 210
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N3O3S
|
||||||||||||||||||
| Molecular Weight |
419.506
|
||||||||||||||||||
| Canonical SMILES |
C(NCc1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)c1ccno1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N3O3S/c1-2-4-16(5-3-1)21-8-6-17-12-18(7-9-22(17)28-21)27-23-25-15-20(30-23)14-24-13-19-10-11-26-29-19/h1-5,7,9-12,15,21,24H,6,8,13-14H2/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTKSTMQDFUPTCY-NRFANRHFSA-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