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Compound Detail

CHEMBL4301979

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C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2

Basic Information

ChEMBL ID CHEMBL4301979
Phase Preclinical
Structure Type MOL
InChI Key JZZKXVYRWZYYQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

519.8
MW (Da)
6.48
ALogP
5
HBA
1
HBD
55.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H47N4O2+
MW 519.75
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine