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Compound Detail

CHEMBL3040778

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N=C(NCCc1ccc(Cl)cc1)SCCCN1CCCC1

Basic Information

ChEMBL ID CHEMBL3040778
Phase Preclinical
Structure Type MOL
InChI Key MEFRYVMTAZKWAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.9
MW (Da)
3.63
ALogP
3
HBA
2
HBD
39.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24ClN3S
MW 325.91
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine