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Compound Detail

CHEMBL287606

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Cn1ccc2c1[C@@H](c1ccccc1)CN1CCC[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287606
Phase Preclinical
Structure Type MOL
InChI Key CTBARMPWCMVVCW-CVEARBPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

252.4
MW (Da)
3.31
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2
MW 252.36
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine