General Information of the Compound
| Compound ID |
CP0562151
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-2-[(4-carbamoylphenyl)methylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H25N3O4S
|
||||||||||||||||||
| Molecular Weight |
499.592
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2cccs2)c2ccc(OCc3ccccc3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25N3O4S/c29-26(32)22-10-8-19(9-11-22)17-30-28(34)25(31-27(33)24-7-4-16-36-24)21-12-14-23(15-13-21)35-18-20-5-2-1-3-6-20/h1-16,25H,17-18H2,(H2,29,32)(H,30,34)(H,31,33)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WIMBNKQPVPGWRV-VWLOTQADSA-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 | |||||||||||||||||||
| 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