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Compound Detail

CHEMBL4596984

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C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC/C(C)=C/C[n+]1cn(C)c2nc[nH]/c(=N\O)c21

Basic Information

ChEMBL ID CHEMBL4596984
Phase Preclinical
Structure Type MOL
InChI Key OWKAZFYDEOEAIA-MZBNONOLSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.7
MW (Da)
5.39
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H42N5O+
MW 452.67
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 2.54

Data from ChEMBL 36 via Core Engine