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Compound Detail

CHEMBL2365147

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CCCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1

Basic Information

ChEMBL ID CHEMBL2365147
Phase Preclinical
Structure Type MOL
InChI Key QKQWCQOXDWPQBK-YYKSVNNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
3.50
ALogP
6
HBA
3
HBD
97.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N2O5
MW 454.57
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.97

Data from ChEMBL 36 via Core Engine