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Compound Detail

CHEMBL1178585

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CC1(C)N=C(N)N=C(N)N1c1cccc(C[N+](C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178585
Phase Preclinical
Structure Type MOL
InChI Key MHHAVOFGPUEZBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
1.08
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N6+
MW 289.41
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine