General Information of the Compound
| Compound ID |
CP0429812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8957093, 83
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26N2O3S
|
||||||||||||||||||
| Molecular Weight |
494.616
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26N2O3S/c1-19-20(2)32(18-21-9-11-22(12-10-21)25-7-3-4-8-26(25)30(34)35)28-14-13-23(16-27(19)28)29(33)31-17-24-6-5-15-36-24/h3-16H,17-18H2,1-2H3,(H,31,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHHFNXUOISFOGV-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