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Compound Detail

CHEMBL1185451

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C[N+]12CC[C@@H]3[C@@H]4/C(=C\N5c6ccccc6[C@@]67CC[N+]8(C)CC9=CCO[C@H]([C@@H]([C@H]56)[C@H]9C[C@@H]78)N4c4ccccc4)[C@@H](C[C@@H]31)/C(=C\CO)C2

Basic Information

ChEMBL ID CHEMBL1185451
Phase Preclinical
Structure Type MOL
InChI Key OYEREZMILAMQAG-MQOXDTNHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

616.9
MW (Da)
4.82
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H48N4O2+2
MW 616.85
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness 2.26

Data from ChEMBL 36 via Core Engine