General Information of the Compound
| Compound ID |
CP0538056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33N5O3S
|
||||||||||||||||||
| Molecular Weight |
555.704
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)c(s1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33N5O3S/c1-31(2,3)22-9-7-20(8-10-22)29(38)34-24-6-4-5-21(19-24)30-35-28(26(40-30)27(32)37)33-23-11-13-25(14-12-23)36-15-17-39-18-16-36/h4-14,19,33H,15-18H2,1-3H3,(H2,32,37)(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYBJHOANUGUAGL-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