General Information of the Compound
| Compound ID |
CP0576648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-pyridin-3-ylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N3O3
|
||||||||||||||||||
| Molecular Weight |
379.46
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H](Cc1cccnc1)NC(=O)Nc1c2CCCc2cc2CCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O3/c1-28-21(26)19(11-14-5-4-10-23-13-14)24-22(27)25-20-17-8-2-6-15(17)12-16-7-3-9-18(16)20/h4-5,10,12-13,19H,2-3,6-9,11H2,1H3,(H2,24,25,27)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMSRMYZMZCFBKK-LJQANCHMSA-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