General Information of the Compound
| Compound ID |
CP0539543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 359
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N4O3S
|
||||||||||||||||||
| Molecular Weight |
488.613
|
||||||||||||||||||
| Canonical SMILES |
CCn1nccc1CNC(=O)c1cnc(Oc2cc3CCC(Oc3cc2C)c2ccccc2C)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N4O3S/c1-4-31-20(11-12-30-31)15-28-26(32)25-16-29-27(35-25)34-23-14-19-9-10-22(33-24(19)13-18(23)3)21-8-6-5-7-17(21)2/h5-8,11-14,16,22H,4,9-10,15H2,1-3H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZVFFKQPHXREKK-UHFFFAOYSA-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