Compound Detail
CHEMBL1206657
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Cn1nnnc1SCC(=O)OC[C@@]1(C)[C@H](C(=O)O)N2C(=O)/C(=C/C(=O)O)C2S1(=O)=O
Basic Information
| ChEMBL ID | CHEMBL1206657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGAPDPMIMINHRN-DUCIPQTBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
-2.33
ALogP
12
HBA
2
HBD
198.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Data from ChEMBL 36 via Core Engine