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Compound Detail

CHEMBL1207608

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O=C(O)C[C@H](O)C[C@H](O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)C1N=NN=N1

Basic Information

ChEMBL ID CHEMBL1207608
Phase Preclinical
Structure Type MOL
InChI Key PNQKFZPJWLJCII-AQRBRUGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
4.07
ALogP
7
HBA
3
HBD
127.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F2N4O4
MW 442.42
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.30

Data from ChEMBL 36 via Core Engine