General Information of the Compound
| Compound ID |
CP0249225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-[[4-(4-fluorophenyl)benzoyl]amino]-4-methylphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28FN3O5S
|
||||||||||||||||||
| Molecular Weight |
573.646
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28FN3O5S/c1-18-5-14-24(33-31(41)35-30(37)22-15-26(38-2)28(40-4)27(16-22)39-3)17-25(18)34-29(36)21-8-6-19(7-9-21)20-10-12-23(32)13-11-20/h5-17H,1-4H3,(H,34,36)(H2,33,35,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYGWJHNCQVCGDK-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