| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H22BNO4 |
| Molecular Weight | 327.183 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(COB(O)C1)C2=CC(=CN=C2)C3=CC=C(OC)C(OCCC)=C3
InChI
InChIKey=KXVKOYCGACSUPP-INIZCTEOSA-N
InChI=1S/C18H22BNO4/c1-3-6-23-18-8-13(4-5-17(18)22-2)14-7-15(11-20-10-14)16-9-19(21)24-12-16/h4-5,7-8,10-11,16,21H,3,6,9,12H2,1-2H3/t16-/m0/s1
| Molecular Formula | C18H22BNO4 |
| Molecular Weight | 327.183 |
| 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
|
|
OFF-TARGET->INHIBITOR |
IC50
95.7 MICROMOLAR (average) |
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