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Compound Detail

CHEMBL1198744

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N=C(N)Nc1ccc(CCc2ccc(N=C3NCCN3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198744
Phase Preclinical
Structure Type MOL
InChI Key SQZSBSSOJVUBRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
1.96
ALogP
2
HBA
5
HBD
98.3
PSA (Ų)
0.43
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 C18H22N6
MW 322.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine