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Compound Detail

CHEMBL54672

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CCCOCCNc1nc(Oc2cccc(C(=N)N)c2)c(F)c(C)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL54672
Phase Preclinical
Structure Type MOL
InChI Key RKXWESJUZGMHJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.58
ALogP
5
HBA
3
HBD
93.2
PSA (Ų)
0.36
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 C18H22F2N4O2
MW 364.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
9873451 10.1016/s0960-894x(98)00333-3 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine