General Information of the Compound
| Compound ID |
CP0962249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Methyl (S)-1-(2-(aminomethyl)-4-oxo-4H-chromene-6-carbonyl)pyrrolidine-3-carboxylate hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19ClN2O5
|
||||||||||||||||||
| Molecular Weight |
366.801
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H]1CCN(C(=O)c2ccc3oc(CN)cc(=O)c3c2)C1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N2O5.ClH/c1-23-17(22)11-4-5-19(9-11)16(21)10-2-3-15-13(6-10)14(20)7-12(8-18)24-15;/h2-3,6-7,11H,4-5,8-9,18H2,1H3;1H/t11-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUFXTALEBRCBOS-MERQFXBCSA-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