General Information of the Compound
| Compound ID |
CP0684303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,6R,7aS)-6-amino-6-isobutyl-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H18ClN3OS
|
||||||||||||||||||
| Molecular Weight |
275.805
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H17N3OS.ClH/c1-7(2)3-11(13)4-9-14(10(11)15)8(5-12)6-16-9;/h7-9H,3-4,6,13H2,1-2H3;1H/t8-,9+,11-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKOCQVMCFSSTGT-GITWGATASA-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