General Information of the Compound
| Compound ID |
CP0849308
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(Cyclohex-1'-enecarbonyl)amino-caprolactam
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H20N2O2
|
||||||||||||||||||
| Molecular Weight |
236.315
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CCCCNC1=O)C1=CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H20N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h6,11H,1-5,7-9H2,(H,14,17)(H,15,16)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRJNOQLJTOYSJC-NSHDSACASA-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