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Compound Detail

CHEMBL3990925

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Cc1c2c[n+](C)ccc2c(C(=O)NCCN)c2[nH]c3ccccc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990925
Phase Preclinical
Structure Type MOL
InChI Key RHUVAWDBGQBPDV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
2.30
ALogP
2
HBA
3
HBD
74.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N4O+
MW 333.42
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.18

Data from ChEMBL 36 via Core Engine