Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C35H38F6N4O2 |
| Molecular Weight | 660.6922 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=CC(C)=C1NC(=O)CN2CCN(CC2)[C@H]3CCN([C@H](CC4=CC=CC=C4)C3)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
InChI
InChIKey=KHOXGPDKCIQOOR-XZWHSSHBSA-N
InChI=1S/C35H38F6N4O2/c1-23-7-6-8-24(2)32(23)42-31(46)22-43-13-15-44(16-14-43)29-11-12-45(30(21-29)17-25-9-4-3-5-10-25)33(47)26-18-27(34(36,37)38)20-28(19-26)35(39,40)41/h3-10,18-20,29-30H,11-17,21-22H2,1-2H3,(H,42,46)/t29-,30+/m0/s1
| Molecular Formula | C35H38F6N4O2 |
| Molecular Weight | 660.6922 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 21:23:38 GMT 2025
by
admin
on
Wed Apr 02 21:23:38 GMT 2025
|
| Record UNII |
5GT89LA9ED
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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9917716
Created by
admin on Wed Apr 02 21:23:38 GMT 2025 , Edited by admin on Wed Apr 02 21:23:38 GMT 2025
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PRIMARY | |||
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5GT89LA9ED
Created by
admin on Wed Apr 02 21:23:38 GMT 2025 , Edited by admin on Wed Apr 02 21:23:38 GMT 2025
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PRIMARY | |||
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336884-84-5
Created by
admin on Wed Apr 02 21:23:38 GMT 2025 , Edited by admin on Wed Apr 02 21:23:38 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
> 200-fold selectivity against NK2 and
NK3 receptors
Ki
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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