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Compound Detail

CHEMBL1852271

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COc1cccc2c1CCCC2C(=O)NCCCN1CCN(C2CCCCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852271
Phase Preclinical
Structure Type MOL
InChI Key DKVWFNAOHAVLPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
3.57
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H39N3O2
MW 413.61
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine