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Compound Detail

CHEMBL4595446

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C[C@@H](Oc1cc(-c2cnn(C3CCN(C4=C(/C=C/C5=[N+](C)c6ccccc6C5(C)C)CCC/C4=C\C=C4\N(C)c5ccccc5C4(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

Basic Information

ChEMBL ID CHEMBL4595446
Phase Preclinical
Structure Type MOL
InChI Key OPVZFKUHNYJOKR-MGBGTMOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

898.0
MW (Da)
12.69
ALogP
7
HBA
1
HBD
75.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H57Cl2FN7O+
MW 897.99
Aromatic Rings 5
Heavy Atoms 64
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine