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Compound Detail

CHEMBL1187480

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CN(C)CCOc1ccc(C(=O)N2C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C2)cc1

Basic Information

ChEMBL ID CHEMBL1187480
Phase Preclinical
Structure Type MOL
InChI Key VGJYQIWXICQKNH-WZGDJCGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

556.6
MW (Da)
4.64
ALogP
8
HBA
0
HBD
136.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N4O7
MW 556.58
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine