General Information of the Compound
| Compound ID |
CP0670138
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(5-(2'-amino-3-(3,6-dihydro-2H-pyran-4-yl)-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazole]-7-yl)pyridin-3-yl)prop-2-yn-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22N4O4
|
||||||||||||||||||
| Molecular Weight |
466.497
|
||||||||||||||||||
| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(-c3cncc(C#CCO)c3)ccc1Oc1cnc(C3=CCOCC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22N4O4/c28-26-31-27(16-34-26)21-11-19(20-10-17(2-1-7-32)13-29-14-20)3-4-24(21)35-25-15-30-23(12-22(25)27)18-5-8-33-9-6-18/h3-5,10-15,32H,6-9,16H2,(H2,28,31)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXDDNDZGXUXSDF-MHZLTWQESA-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