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Compound Detail

CHEMBL3747970

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N=C(N)NCCc1cn(Cc2cccc(Cl)c2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747970
Phase Preclinical
Structure Type MOL
InChI Key SIYBDCMLTFGBGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
3.37
ALogP
2
HBA
3
HBD
66.8
PSA (Ų)
0.50
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 C18H19ClN4
MW 326.83
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.30

Data from ChEMBL 36 via Core Engine