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Compound Detail

CHEMBL3307062

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CNC(=O)NCCCCC[n+]1ccc2c(C)c3c(c(C)c2c1)c1cc(O)ccc1n3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3307062
Phase Preclinical
Structure Type MOL
InChI Key PNRGMIFITDSMRD-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
4.19
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N4O2+
MW 419.55
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.11

Data from ChEMBL 36 via Core Engine