General Information of the Compound
| Compound ID |
CP0780238
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,6S,7aS)-6-amino-6-cyclopentyl-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H18ClN3OS
|
||||||||||||||||||
| Molecular Weight |
287.816
|
||||||||||||||||||
| Canonical SMILES |
Cl.N#C[C@@H]1CS[C@H]2C[C@](N)(C3CCCC3)C(=O)N12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H17N3OS.ClH/c13-6-9-7-17-10-5-12(14,11(16)15(9)10)8-3-1-2-4-8;/h8-10H,1-5,7,14H2;1H/t9-,10+,12+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNGMKDJOKUWNGN-NMMPVGNLSA-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