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Compound Detail

CHEMBL1197074

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CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197074
Phase Preclinical
Structure Type MOL
InChI Key DFBRXDUAXHPRJM-NHCUHLMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
3.97
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N3O
MW 353.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.24

Data from ChEMBL 36 via Core Engine