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Compound Detail

CHEMBL432411

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Brc1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432411
Phase Preclinical
Structure Type MOL
InChI Key CGBPRRHXVCXIKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

581.7
MW (Da)
1.18
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H53BrN8
MW 581.69
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine