Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H28ClN3O4S.ClH |
| Molecular Weight | 490.444 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC1=C(OC)C(=CC(Cl)=C1)C(C)NC2=CC(=CC=C2S(C)(=O)=O)N3CCNCC3
InChI
InChIKey=PILCQJJJAFRKHO-UHFFFAOYSA-N
InChI=1S/C21H28ClN3O4S.ClH/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27;/h5-6,11-14,23-24H,7-10H2,1-4H3;1H
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H28ClN3O4S |
| Molecular Weight | 453.983 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL3371 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24850589 |
4.0 nM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:48:11 GMT 2025
by
admin
on
Mon Mar 31 22:48:11 GMT 2025
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| Record UNII |
336H22ETCG
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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DB05993
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DTXSID201029352
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23653584
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903580-39-2
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admin on Mon Mar 31 22:48:11 GMT 2025 , Edited by admin on Mon Mar 31 22:48:11 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |