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Compound Detail

CHEMBL1789736

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Cc1cc(NCCN2CCCC2)c2ccc3c(ccc4c(NCCN5CCCC5)cc(C)nc43)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789736
Phase Preclinical
Structure Type MOL
InChI Key YMIAROHKGIFAFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.7
MW (Da)
5.57
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N6
MW 482.68
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine