Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H23N5O6S |
| Molecular Weight | 449.481 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC2=C(C[C@@H](CCC3=CC=C(S3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
InChI
InChIKey=GQCXGHHHNACOGE-SKDRFNHKSA-N
InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1
| Molecular Formula | C19H23N5O6S |
| Molecular Weight | 449.481 |
| 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
Sat Dec 16 20:02:13 UTC 2023
by
admin
on
Sat Dec 16 20:02:13 UTC 2023
|
| Record UNII |
XA350X0B4R
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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XA350X0B4R
Created by
admin on Sat Dec 16 20:02:14 UTC 2023 , Edited by admin on Sat Dec 16 20:02:14 UTC 2023
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127228-54-0
Created by
admin on Sat Dec 16 20:02:14 UTC 2023 , Edited by admin on Sat Dec 16 20:02:14 UTC 2023
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135430850
Created by
admin on Sat Dec 16 20:02:14 UTC 2023 , Edited by admin on Sat Dec 16 20:02:14 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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CELL->INHIBITOR |
IC50
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SALT/SOLVATE -> PARENT |
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CELL->INHIBITOR |
IC50
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TARGET -> INHIBITOR |
Ki
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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