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Compound Detail

CHEMBL4596097

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CC(CCNc1ccnc2cc(Cl)ccc12)NCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3

Basic Information

ChEMBL ID CHEMBL4596097
Phase Preclinical
Structure Type MOL
InChI Key BEFITUVVENYRBQ-CGPFQIDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

560.1
MW (Da)
5.89
ALogP
8
HBA
2
HBD
83.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42ClN3O5
MW 560.14
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 1.39

Data from ChEMBL 36 via Core Engine