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Compound Detail

CHEMBL1185210

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CC(C)(CN1C(=O)c2cccc3ccc([N+](=O)[O-])c(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL1185210
Phase Preclinical
Structure Type MOL
InChI Key BXJZCBHNEJSEOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

671.8
MW (Da)
5.77
ALogP
6
HBA
0
HBD
117.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H49N5O6+2
MW 671.84
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine