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Compound Detail

CHEMBL50236

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C(=C/c1nc2ccccc2s1)\c1ccc(OCCCn2ccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50236
Phase Preclinical
Structure Type MOL
InChI Key IMWQERYXDOHBQP-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
5.13
ALogP
5
HBA
0
HBD
39.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3OS
MW 361.47
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.67

Data from ChEMBL 36 via Core Engine