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Compound Detail

CHEMBL2365486

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C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2(OC)C=C[C@@]3(C[C@@H]2N=S)[C@H]1C5

Basic Information

ChEMBL ID CHEMBL2365486
Phase Preclinical
Structure Type MOL
InChI Key ULHPJVDCKRMPFQ-DCXOLVISSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
2.65
ALogP
6
HBA
1
HBD
54.3
PSA (Ų)
0.79
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 C22H24N2O3S
MW 396.51
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.71

Data from ChEMBL 36 via Core Engine