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Compound Detail

CHEMBL1963250

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C[N+](C)([O-])CCNc1ccc2c3c(nn2CC[N+](C)(C)[O-])-c2cnccc2C(=O)c13

Basic Information

ChEMBL ID CHEMBL1963250
Phase Preclinical
Structure Type MOL
InChI Key MWQOFGXGZQZDTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.20
ALogP
7
HBA
1
HBD
105.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N6O3
MW 410.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine