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Compound Detail

CHEMBL1180595

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c1ccc(CNCC2CCc3ccccc3O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180595
Phase Preclinical
Structure Type MOL
InChI Key YGSXNPFZXQFLSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.17
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO
MW 253.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine