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Compound Detail

CHEMBL4802938

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CCCNC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802938
Phase Preclinical
Structure Type MOL
InChI Key HOKCXDCTKLQEJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
2.99
ALogP
4
HBA
5
HBD
84.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N6
MW 350.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine