Compound Detail
CHEMBL3558415
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C[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69
Basic Information
| ChEMBL ID | CHEMBL3558415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIYHWTVUYIYKKG-LMSPTWJVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
614.8
MW (Da)
4.36
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Data from ChEMBL 36 via Core Engine