General Information of the Compound
| Compound ID |
CP0439029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-Ethyl 2-amino-6-(2-(tert-butoxycarbonyl(methyl)-amino)-3-(4-chlorophenyl)propanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
522.067
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32ClN3O5S/c1-6-33-23(31)20-17-11-12-29(14-19(17)35-21(20)27)22(30)18(13-15-7-9-16(26)10-8-15)28(5)24(32)34-25(2,3)4/h7-10,18H,6,11-14,27H2,1-5H3/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHYKJBMMFFRXTG-GOSISDBHSA-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