General Information of the Compound
| Compound ID |
CP0902339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl (2S)-2-[[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-methylamino]-3-methylbutanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32N2O4
|
||||||||||||||||||
| Molecular Weight |
388.508
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H](C(=O)OC(C)(C)C)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32N2O4/c1-13(2)17(20(26)28-21(3,4)5)24(8)18-15-11-14(12-23)9-10-16(15)27-22(6,7)19(18)25/h9-11,13,17-19,25H,1-8H3/t17-,18+,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJRNJILITQTTQC-OTWHNJEPSA-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