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Compound Detail

CHEMBL1412224

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Nc1nc(N2C(=O)C3CC=CCC3C2=O)nn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1412224
Phase Preclinical
Structure Type MOL
InChI Key BRQJUXMVCVVPRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
1.31
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N5O2
MW 309.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.84

Data from ChEMBL 36 via Core Engine