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Compound Detail

CHEMBL3559122

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C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559122
Phase Preclinical
Structure Type MOL
InChI Key QYYDQAIFMPQSHY-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

594.5
MW (Da)
4.15
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34BrN4O4+
MW 594.53
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine