| Stereochemistry | ABSOLUTE |
| Molecular Formula | C47H44ClFN6O6S |
| Molecular Weight | 875.405 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, R |
SHOW SMILES / InChI
SMILES
CN1CCN(CCOC2=CC=C(C3=C(SC4=NC=NC(O[C@H](CC5=C(OCC6=NC(=NC=C6)C7=C(CO)C=CC=C7)C=CC=C5)C(O)=O)=C34)C8=CC=C(F)C=C8)C(C)=C2Cl)CC1
InChI
InChIKey=NHDQXHYUSYRVEI-LDLOPFEMSA-N
InChI=1S/C47H44ClFN6O6S/c1-29-35(15-16-38(42(29)48)59-24-23-55-21-19-54(2)20-22-55)40-41-45(51-28-52-46(41)62-43(40)30-11-13-33(49)14-12-30)61-39(47(57)58)25-31-7-4-6-10-37(31)60-27-34-17-18-50-44(53-34)36-9-5-3-8-32(36)26-56/h3-18,28,39,56H,19-27H2,1-2H3,(H,57,58)/t39-/m1/s1
| Molecular Formula | C47H44ClFN6O6S |
| Molecular Weight | 875.405 |
| 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->NON-INHIBITOR |
BINDING
IC50
|
||
|
|
TARGET -> INHIBITOR |
BINDING
IC50
0.45 NANOMOLAR (average) |
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