General Information of the Compound
| Compound ID |
CP0574014
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 30
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N7O3S
|
||||||||||||||||||
| Molecular Weight |
503.588
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2nc([nH]c12)-c1ncsc1N1CCN(CC1)C(=O)Cn1c2ccccc2n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N7O3S/c1-29-17-7-3-4-8-18(17)32(25(29)34)14-20(33)30-10-12-31(13-11-30)24-22(26-15-36-24)23-27-16-6-5-9-19(35-2)21(16)28-23/h3-9,15H,10-14H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTMPGUHQBCBJDK-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