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Compound Detail

CHEMBL4800064

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CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C5N=NN=N5)cc4)cc23)c1F

Basic Information

ChEMBL ID CHEMBL4800064
Phase Preclinical
Structure Type MOL
InChI Key XRUKOBSQVLMZOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.5
MW (Da)
4.73
ALogP
9
HBA
2
HBD
154.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F2N8O3S
MW 510.49
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.26

Data from ChEMBL 36 via Core Engine