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Compound Detail

CHEMBL5498647

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O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc[n+](Cc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL5498647
Phase Preclinical
Structure Type MOL
InChI Key ZKPINQKFBFBQEI-ZLTFECBESA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

538.7
MW (Da)
3.09
ALogP
5
HBA
3
HBD
85.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H36N3O4+
MW 538.67
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.64

Data from ChEMBL 36 via Core Engine