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Compound Detail

CHEMBL1190617

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O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190617
Phase Preclinical
Structure Type MOL
InChI Key DUGKDCSYXCEMBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.83
ALogP
5
HBA
0
HBD
72.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O4
MW 422.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.93

Data from ChEMBL 36 via Core Engine