Details
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 |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:19:14 GMT 2023
by
admin
on
Sat Dec 16 12:19:14 GMT 2023
|
Record UNII |
801XYWHNOS
|
Record Status |
Validated (UNII)
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Record Version |
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-
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801XYWHNOS
Created by
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1799638-19-9
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admin on Sat Dec 16 12:19:14 GMT 2023 , Edited by admin on Sat Dec 16 12:19:14 GMT 2023
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C133174
Created by
admin on Sat Dec 16 12:19:14 GMT 2023 , Edited by admin on Sat Dec 16 12:19:14 GMT 2023
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118163156
Created by
admin on Sat Dec 16 12:19:14 GMT 2023 , Edited by admin on Sat Dec 16 12:19:14 GMT 2023
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300000024245
Created by
admin on Sat Dec 16 12:19:14 GMT 2023 , Edited by admin on Sat Dec 16 12:19:14 GMT 2023
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Related Record | Type | Details | ||
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OFF TARGET->NON-INHIBITOR |
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OFF-TARGET->NON-INHIBITOR |
BINDING
IC50
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TARGET -> INHIBITOR |
BINDING
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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