General Information of the Compound
| Compound ID |
CP0515136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987445, 82
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25N2NaO5S
|
||||||||||||||||||
| Molecular Weight |
524.574
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc2c(OCC2(C)C)c1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N2O5S.Na/c1-18-23-7-5-4-6-21(23)15-29-26(18)30(36(33,34)22-11-9-20(10-12-22)27(31)32)16-19-8-13-24-25(14-19)35-17-28(24,2)3;/h4-15H,16-17H2,1-3H3,(H,31,32);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQUUOSJVYIVMCD-UHFFFAOYSA-M
|
||||||||||||||||||
| 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