Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C39H32ClF10N7O5S2 |
Molecular Weight | 968.282 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12C[C@@]1([H])C(F)(F)C3=C2C(=NN3CC(=O)N[C@@H](CC4=CC(F)=CC(F)=C4)C5=NC(=CC=C5C6=CC=C(Cl)C7=C6N(CC(F)(F)F)N=C7NS(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F
InChI
InChIKey=BRYXUCLEHAUSDY-WEWMWRJBSA-N
InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1
Molecular Formula | C39H32ClF10N7O5S2 |
Molecular Weight | 968.282 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:10:10 GMT 2023
by
admin
on
Sat Dec 16 14:10:10 GMT 2023
|
Record UNII |
A9A0O6FB4H
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Code | English | ||
|
Code | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
11108
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY | |||
|
133082658
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY | |||
|
JK-52
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY | |||
|
DB15673
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY | |||
|
C174616
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY | |||
|
A9A0O6FB4H
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY | |||
|
A9A0O6FB4H
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY | |||
|
2189684-44-2
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY | |||
|
300000007900
Created by
admin on Sat Dec 16 14:10:11 GMT 2023 , Edited by admin on Sat Dec 16 14:10:11 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
BINDER->LIGAND |
|
||
|
SALT/SOLVATE -> PARENT |
|
||
|
TARGET ORGANISM->INHIBITOR |
|
||
|
METABOLIC ENZYME -> SUBSTRATE |
|
||
|
EXCRETED UNCHANGED |
FECAL
|
||
|
METABOLIC ENZYME -> SUBSTRATE |
MINOR
|
||
|
METABOLIC ENZYME -> INHIBITOR |
Moderate inhibitor
MINOR
|
||
|
TARGET->INHIBITOR OF AGGREGATION |
Long acting drug
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
|
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
---|---|---|---|---|---|---|
Volume of Distribution | PHARMACOKINETIC |
|
Route of administration PHARMACOKINETIC |
|
||
Volume of Distribution | PHARMACOKINETIC |
|
Route of administration PHARMACOKINETIC |
|
||