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Compound Detail

CHEMBL2365795

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COc1ccc2c(c1)CCCC2CCCN1[C@H](C)CCC[C@@H]1C

Basic Information

ChEMBL ID CHEMBL2365795
Phase Preclinical
Structure Type MOL
InChI Key MFGCPZIABQRQMH-JWTNVVGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.5
MW (Da)
5.16
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.74
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33NO
MW 315.50
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine