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Compound Detail

CHEMBL5222508

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

Basic Information

ChEMBL ID CHEMBL5222508
Phase Preclinical
Structure Type MOL
InChI Key SGJQGHMNCJYGEY-DWRRPZAGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
1.53
ALogP
7
HBA
3
HBD
112.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FN5O4S
MW 457.49
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine