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Compound Detail

CHEMBL4299837

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C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCNc1c2c(nc3ccccc13)CCCC2

Basic Information

ChEMBL ID CHEMBL4299837
Phase Preclinical
Structure Type MOL
InChI Key XNMKRMFEACCDMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.7
MW (Da)
5.31
ALogP
5
HBA
1
HBD
55.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H41N4O2+
MW 477.67
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine