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Compound Detail

CHEMBL3039820

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O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL3039820
Phase Preclinical
Structure Type MOL
InChI Key SWOLLPHUVPCIOU-RHMACHLXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
2.70
ALogP
6
HBA
4
HBD
94.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33N3O4
MW 487.60
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.71

Data from ChEMBL 36 via Core Engine