General Information of the Compound
| Compound ID |
CP0554510
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 274
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N5O3S
|
||||||||||||||||||
| Molecular Weight |
475.574
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCC[C@@H]2C)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N5O3S/c1-15-6-7-24-27-20(12-30(24)28-15)23-11-19-21(9-18(31-3)10-22(19)33-23)32-13-17-14-34-25(26-17)29-8-4-5-16(29)2/h6-7,9-12,14,16H,4-5,8,13H2,1-3H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTAHPJGEVGAFSS-INIZCTEOSA-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