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Compound Detail

CHEMBL3040671

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CN1CCN(CCCSC(=N)NCc2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040671
Phase Preclinical
Structure Type MOL
InChI Key BWARCEBENGZYIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.9
MW (Da)
2.74
ALogP
4
HBA
2
HBD
42.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25ClN4S
MW 340.92
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.35

Data from ChEMBL 36 via Core Engine