General Information of the Compound
| Compound ID |
CP0379293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-7'-(2-fluoropyridin-3-yl)-3'-(3-methoxy-3-methylbut-1-ynyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21FN4O3
|
||||||||||||||||||
| Molecular Weight |
444.466
|
||||||||||||||||||
| Canonical SMILES |
COC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21FN4O3/c1-24(2,31-3)9-8-15-11-19-22(29-13-15)33-20-7-6-16(17-5-4-10-28-21(17)26)12-18(20)25(19)14-32-23(27)30-25/h4-7,10-13H,14H2,1-3H3,(H2,27,30)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSZIOJJFVANMBW-VWLOTQADSA-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