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Compound Detail

CHEMBL283457

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COc1ccc(O)c(C(=O)c2ccc(/C=C/[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F

Basic Information

ChEMBL ID CHEMBL283457
Phase Preclinical
Structure Type MOL
InChI Key QXALMENQPNPILV-ANFMQWFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
3.98
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28FN3O4
MW 489.55
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine