General Information of the Compound
| Compound ID |
CP0468377
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9125915, compound 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26N6O2S
|
||||||||||||||||||
| Molecular Weight |
510.623
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Nc2cccc(c2)C#N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N6O2S/c1-5-36-24(35)14-23-27-33-32-18(4)34(27)28-25(16(2)17(3)37-28)26(31-23)20-9-11-21(12-10-20)30-22-8-6-7-19(13-22)15-29/h6-13,23,30H,5,14H2,1-4H3/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QSZLUBPLEBWTKU-QHCPKHFHSA-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