General Information of the Compound
| Compound ID |
CP0488592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9464076, 125
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N4O3S
|
||||||||||||||||||
| Molecular Weight |
516.667
|
||||||||||||||||||
| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(CN4CCN(C)CC4)c4ccccc4n3)c(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N4O3S/c1-18-26-20(17-36-4)9-10-22(19(2)34)28(26)37-27(18)29(35)31-25-15-21(16-33-13-11-32(3)12-14-33)23-7-5-6-8-24(23)30-25/h5-10,15H,11-14,16-17H2,1-4H3,(H,30,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNTHIKFUQVZPFN-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