Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H24ClNO4 |
| Molecular Weight | 389.873 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCCN1CCC[C@H]1COC2=CC=C(OC3=CC=C(Cl)C=C3)C=C2
InChI
InChIKey=PVCTYSQBVIGZRU-KRWDZBQOSA-N
InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1
| Molecular Formula | C21H24ClNO4 |
| Molecular Weight | 389.873 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL4618 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19950900 |
47.0 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 04:12:33 GMT 2025
by
admin
on
Wed Apr 02 04:12:33 GMT 2025
|
| Record UNII |
T6WM2IY2LM
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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929916-05-2
Created by
admin on Wed Apr 02 04:12:33 GMT 2025 , Edited by admin on Wed Apr 02 04:12:33 GMT 2025
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PRIMARY | |||
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44537807
Created by
admin on Wed Apr 02 04:12:33 GMT 2025 , Edited by admin on Wed Apr 02 04:12:33 GMT 2025
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PRIMARY | |||
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T6WM2IY2LM
Created by
admin on Wed Apr 02 04:12:33 GMT 2025 , Edited by admin on Wed Apr 02 04:12:33 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |