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Compound Detail

CHEMBL1194763

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CC(C)Sc1ccccc1NCC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194763
Phase Preclinical
Structure Type MOL
InChI Key RREJZKOLYMUBNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

249.4
MW (Da)
2.60
ALogP
4
HBA
2
HBD
36.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19N3S
MW 249.38
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.35

Data from ChEMBL 36 via Core Engine