Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H40N4O7 |
| Molecular Weight | 580.6719 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[C@]4(C)CO4)C=C1
InChI
InChIKey=WQAVPPWWLLVGFK-FRDWYVIJSA-N
InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31-/m0/s1
| Molecular Formula | C31H40N4O7 |
| Molecular Weight | 580.6719 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL5620 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19525961 |
10.0 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:11:39 GMT 2025
by
admin
on
Mon Mar 31 22:11:39 GMT 2025
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| Record UNII |
UID7D8IN4Q
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| Record Status |
Validated (UNII)
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