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Compound Detail

CHEMBL4301898

BRILLIANT BLUE G FREE ACID
💊 Approved Drug
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💊 Approved Drug
CCOc1ccc(Nc2ccc(/C(=C3/C=C/C(=[N+](/CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)O)c4)cc3C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301898
Name BRILLIANT BLUE G FREE ACID
Phase Approved
Structure Type MOL
InChI Key YVNQAIFQFWTPLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

832.1
MW (Da)
9.31
ALogP
8
HBA
2
HBD
139.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2019
Availability Prescription
Chirality Achiral

Routes of Administration

Topical

Flags

Natural Product

Extended Properties

Molecular Formula C47H49N3O7S2
MW 832.06
Aromatic Rings 5
Heavy Atoms 59
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine