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Compound Detail

CHEMBL1963350

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O=[N+]([O-])c1ncn(CCCNc2ccnc3cc(Cl)ccc23)n1

Basic Information

ChEMBL ID CHEMBL1963350
Phase Preclinical
Structure Type MOL
InChI Key VVPCMUZWDFSCBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.8
MW (Da)
2.89
ALogP
7
HBA
1
HBD
98.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13ClN6O2
MW 332.75
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.01

Data from ChEMBL 36 via Core Engine