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Compound Detail

CHEMBL2220424

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C[C@]12CC[C@H]([N+]3(C)CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H]([N+]3(C)CCOCC3)C[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220424
Phase Preclinical
Structure Type MOL
InChI Key IVEMVUVECHEGQU-INNIVPSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.8
MW (Da)
4.45
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H52N2O2+2
MW 460.75
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 1.31

Data from ChEMBL 36 via Core Engine