| Stereochemistry | ABSOLUTE |
| Molecular Formula | C24H34F3N5O4 |
| Molecular Weight | 513.5531 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC[C@@H](CCO)NC1=NC(N)=NC(C)=C1CC2=C(OC)C=C(CN(CC(O)=O)CC(F)(F)F)C=C2
InChI
InChIKey=XWGKZKKNJOQUSG-SFHVURJKSA-N
InChI=1S/C24H34F3N5O4/c1-4-5-18(8-9-33)30-22-19(15(2)29-23(28)31-22)11-17-7-6-16(10-20(17)36-3)12-32(13-21(34)35)14-24(25,26)27/h6-7,10,18,33H,4-5,8-9,11-14H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t18-/m0/s1
| Molecular Formula | C24H34F3N5O4 |
| Molecular Weight | 513.5531 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
|
|
TARGET -> AGONIST |
EC50
292 NANOMOLAR (average) |
||
|
|
TRANSPORTER -> SUBSTRATE |
|
||
|
|
BINDER->LIGAND |
BINDING
14.5 % (average) |
||
|
|
TRANSPORTER -> SUBSTRATE |
|
||
|
|
BINDER->LIGAND |
BINDING
88.8 % (average) |
Showing 1 to 5 of 6 entries
