General Information of the Compound
| Compound ID |
CP0841765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,6S,7aS)-6-amino-5-oxo-6-phenylhexahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H14ClN3OS
|
||||||||||||||||||
| Molecular Weight |
295.795
|
||||||||||||||||||
| Canonical SMILES |
Cl.N#C[C@@H]1CS[C@H]2C[C@](N)(c3ccccc3)C(=O)N12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H13N3OS.ClH/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9;/h1-5,10-11H,6,8,15H2;1H/t10-,11+,13+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILNXQYGLYLJMQH-CHZGQIEOSA-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