Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H22ClN5O2S |
| Molecular Weight | 455.96 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NN=C2CN=C(C3=C(SC(CCC(=O)N4CCOCC4)=C3)N12)C5=C(Cl)C=CC=C5
InChI
InChIKey=JGPJQFOROWSRRS-UHFFFAOYSA-N
InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
| Molecular Formula | C22H22ClN5O2S |
| Molecular Weight | 455.96 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:51:15 UTC 2023
by
admin
on
Fri Dec 15 15:51:15 UTC 2023
|
| Record UNII |
J613NI05SV
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Official Name | English | ||
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Code | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C1327
Created by
admin on Fri Dec 15 15:51:15 UTC 2023 , Edited by admin on Fri Dec 15 15:51:15 UTC 2023
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| Code System | Code | Type | Description | ||
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100000086955
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J613NI05SV
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SUB05533MIG
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m1979
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PRIMARY | Merck Index | ||
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DTXSID5048974
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CHEMBL280164
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6369
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JJ-91
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65889
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105219-56-5
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admin on Fri Dec 15 15:51:15 UTC 2023 , Edited by admin on Fri Dec 15 15:51:15 UTC 2023
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C77989
Created by
admin on Fri Dec 15 15:51:15 UTC 2023 , Edited by admin on Fri Dec 15 15:51:15 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Binding Assay
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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