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Compound Detail

CHEMBL323005

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Oc1nc2cc3cc(OCCCCc4nnnn4C4CCN(Cc5ccc(F)cc5)CC4)ccc3[nH]c-2n1

Basic Information

ChEMBL ID CHEMBL323005
Phase Preclinical
Structure Type MOL
InChI Key ARPCKMFBGKESRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
4.13
ALogP
9
HBA
2
HBD
117.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29FN8O2
MW 516.58
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.71

Data from ChEMBL 36 via Core Engine