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Compound Detail

CHEMBL3991021

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CNC(=O)NCCNC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991021
Phase Preclinical
Structure Type MOL
InChI Key NPZJNXPQZKLODT-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
2.27
ALogP
2
HBA
4
HBD
89.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N5O2+
MW 390.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine