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Compound Detail

CHEMBL3039895

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C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5ccc(NC(=O)c6cnc7ccccc7n6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

Basic Information

ChEMBL ID CHEMBL3039895
Phase Preclinical
Structure Type MOL
InChI Key RBMJAPPKSIFNQC-IXAFCNGASA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

834.0
MW (Da)
8.99
ALogP
5
HBA
3
HBD
123.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H41N10O+3
MW 833.98
Aromatic Rings 9
Heavy Atoms 64
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine