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Compound Detail

CHEMBL3991464

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Cc1cc(Nc2cc[nH]n2)nc(C[C@]2(c3n[nH]c(=O)o3)CC[C@H](Oc3cccc(Cl)c3F)CC2)n1

Basic Information

ChEMBL ID CHEMBL3991464
Phase Preclinical
Structure Type MOL
InChI Key ODIUNKSOMOLOOF-RJSOSXLCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.9
MW (Da)
4.22
ALogP
8
HBA
3
HBD
134.6
PSA (Ų)
0.34
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 C23H23ClFN7O3
MW 499.93
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine