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Compound Detail

CHEMBL1188411

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c1cc(CNC2=NCCN2)ccc1CNC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188411
Phase Preclinical
Structure Type MOL
InChI Key ITCHRUVKUSDBMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
-0.22
ALogP
6
HBA
4
HBD
72.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N6
MW 272.36
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine