General Information of the Compound
| Compound ID |
CP0563942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 28
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N4O4S
|
||||||||||||||||||
| Molecular Weight |
528.634
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccnc(c1)N1CCOCC1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N4O4S/c34-28(31-18-20-10-11-30-27(16-20)33-12-14-35-15-13-33)26-19-32-29(38-26)36-23-7-9-25-22(17-23)6-8-24(37-25)21-4-2-1-3-5-21/h1-5,7,9-11,16-17,19,24H,6,8,12-15,18H2,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMHMFDRUMIMISV-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