General Information of the Compound
| Compound ID |
CP0920429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Phenyl-3-ureidothiophene-2-carboxylic Acid(S)-Piperidin-3-ylamide Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
380.901
|
||||||||||||||||||
| Canonical SMILES |
Cl.NC(=O)Nc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N4O2S.ClH/c18-17(23)21-13-9-14(11-5-2-1-3-6-11)24-15(13)16(22)20-12-7-4-8-19-10-12;/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23);1H/t12-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MEXKTLOHMIVINF-YDALLXLXSA-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