General Information of the Compound
| Compound ID |
CP0931000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)(1-Cyclohexyl-ethyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H31N3O7
|
||||||||||||||||||
| Molecular Weight |
413.471
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)OCCCc1c[nH]cn1)C1CCCCC1.O.O=C(O)/C=C/C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H25N3O2.C4H4O4.H2O/c1-12(13-6-3-2-4-7-13)18-15(19)20-9-5-8-14-10-16-11-17-14;5-3(6)1-2-4(7)8;/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19);1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;/t12-;;/m0../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPBNKGQSBDWUSS-IYZSYBCRSA-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