General Information of the Compound
| Compound ID |
CP0056629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8889672, 194-074-007
Show/Hide
|
||||||||||||||||||
| Synonyms |
350997-33-0
AC1LI5BZ
AKOS000304253
ALBB-001750
BBL016154
BDBM139464
BIM-0031131.P001
CBMicro_031058
CHEMBL2393423
CTK6J7310
ISOPROPYL 2-AMINO-4-(3,4-DIMETHOXYPHENYL)-THIOPHENE-3-CARBOXYLATE
MCULE-6167327602
MFCD01923453
MixCom6_001362
Oprea1_764229
SCHEMBL12632700
SR-01000228616
SR-01000228616-1
STK348738
TR-051961
US8889672, PKCzI-diMeO
Y-9680
ZINC442750
ZX-AN001734
isopropyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
propan-2-yl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19NO4S
|
||||||||||||||||||
| Molecular Weight |
321.398
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-c1csc(N)c1C(=O)OC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19NO4S/c1-9(2)21-16(18)14-11(8-22-15(14)17)10-5-6-12(19-3)13(7-10)20-4/h5-9H,17H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WEHPOCNINSGWET-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
Clinical Information about the Compound