General Information of the Compound
| Compound ID |
CP0959210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(aminomethyl)-6-(3-hydroxypyrrolidin-1-yl)-4H-chromen-4-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H17ClN2O3
|
||||||||||||||||||
| Molecular Weight |
296.754
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(=O)c2cc(N3CC[C@H](O)C3)ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H16N2O3.ClH/c15-7-11-6-13(18)12-5-9(1-2-14(12)19-11)16-4-3-10(17)8-16;/h1-2,5-6,10,17H,3-4,7-8,15H2;1H/t10-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNODGHMXIPQLSK-PPHPATTJSA-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