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Compound Detail

CHEMBL1194634

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CO[C@@]12CCC(=O)[C@@H]3Oc4c(OCc5ccccc5)ccc5c4[C@@]31CCN(C)C2C5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194634
Phase Preclinical
Structure Type MOL
InChI Key KXYYIAIUMSFZFL-HQMHSLGTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.27
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO4
MW 405.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.25

Data from ChEMBL 36 via Core Engine