General Information of the Compound
| Compound ID |
CP0576955
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9464076, 24
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N2O3S
|
||||||||||||||||||
| Molecular Weight |
474.626
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)C(=O)c1cccc2c(C)c(sc12)C(=O)Nc1cc(c2ccccc2n1)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N2O3S/c1-6-17(7-2)24(31)20-13-10-12-18-16(3)25(34-26(18)20)27(32)30-23-15-21(28(4,5)33)19-11-8-9-14-22(19)29-23/h8-15,17,33H,6-7H2,1-5H3,(H,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZXHJDUZDDLYMV-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