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Compound Detail

CHEMBL4116064

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CN(C/C=C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116064
Phase Preclinical
Structure Type MOL
InChI Key RKYDBQMVXSMACN-DDEWIXKASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.6
MW (Da)
6.38
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO
MW 395.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine