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Compound Detail

CHEMBL5222441

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O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\OCCS(=O)(=O)N1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222441
Phase Preclinical
Structure Type MOL
InChI Key OCTFYJFDIOUEOF-IVGNLCKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
1.57
ALogP
7
HBA
3
HBD
112.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FN5O4S
MW 471.51
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine