Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H30N6O3S |
| Molecular Weight | 518.631 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Axial |
SHOW SMILES / InChI
SMILES
CC(C)CC1=NC=C(N2C(=O)NC3=C(SC4=C3C2=CC=N4)C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)C(C)=C1
InChI
InChIKey=OPLNLPWGEZNZFL-ZWKOTPCHSA-N
InChI=1S/C27H30N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h5,9-10,12-14,17-18H,1,6-8,11H2,2-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1
| Molecular Formula | C27H30N6O3S |
| Molecular Weight | 518.631 |
| 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
Wed Apr 02 08:30:25 GMT 2025
by
admin
on
Wed Apr 02 08:30:25 GMT 2025
|
| Record UNII |
Y8U0XA0OJE
|
| 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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Common Name | English |
| Code System | Code | Type | Description | ||
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129234005
Created by
admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025
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Y8U0XA0OJE
Created by
admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025
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300000051642
Created by
admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025
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C179289
Created by
admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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BINDER->LIGAND |
BINDING
|
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TARGET -> INHIBITOR |
94.9 % inhibition at 1 micromolar
IC50
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TARGET -> INHIBITOR |
77.6 % inhibition at 1 micromolar
IC50
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TARGET -> INHIBITOR |
IRREVERSIBLE INHIBITOR
Ki
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
k(inactivation)
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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