Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H28ClN5O2S |
| Molecular Weight | 498.04 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H]1CN(C[C@H](C)O1)C(=O)[C@@H]2CC3=C(C2)C4=C(S3)N5C(C)=NN=C5CN[C@H]4C6=CC=CC=C6Cl
InChI
InChIKey=YRHFRCNVCJJLCD-RQRNNKEXSA-N
InChI=1S/C25H28ClN5O2S/c1-13-11-30(12-14(2)33-13)24(32)16-8-18-20(9-16)34-25-22(18)23(17-6-4-5-7-19(17)26)27-10-21-29-28-15(3)31(21)25/h4-7,13-14,16,23,27H,8-12H2,1-3H3/t13-,14-,16-,23-/m0/s1
| Molecular Formula | C25H28ClN5O2S |
| Molecular Weight | 498.04 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:37:26 GMT 2025
by
admin
on
Wed Apr 02 17:37:26 GMT 2025
|
| Record UNII |
9K4HH98CH5
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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9K4HH98CH5
Created by
admin on Wed Apr 02 17:37:26 GMT 2025 , Edited by admin on Wed Apr 02 17:37:26 GMT 2025
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163298883
Created by
admin on Wed Apr 02 17:37:26 GMT 2025 , Edited by admin on Wed Apr 02 17:37:26 GMT 2025
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2770850-22-9
Created by
admin on Wed Apr 02 17:37:26 GMT 2025 , Edited by admin on Wed Apr 02 17:37:26 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IN-VITRO
ED50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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![Structure of [(6R,8S)-6-(2-Chlorophenyl)-6,7,8,9-tetrahydro-1-methyl-4H,5H-cyclopenta[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl][(2S,6S)-2,6-dimethyl-4-morpholinyl]methanone](/img/2f8bffc4-d3fe-4d8f-b62d-cad6c01c06f8.svg "Structure of [(6R,8S)-6-(2-Chlorophenyl)-6,7,8,9-tetrahydro-1-methyl-4H,5H-cyclopenta[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl][(2S,6S)-2,6-dimethyl-4-morpholinyl]methanone")