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Compound Detail

CHEMBL1193254

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Oc1ccc2c(c1O)CC2C1=NCCN1

Basic Information

ChEMBL ID CHEMBL1193254
Phase Preclinical
Structure Type MOL
InChI Key YRRIOBDKLCQYEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
0.74
ALogP
4
HBA
3
HBD
64.8
PSA (Ų)
0.59
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 C11H12N2O2
MW 204.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 1.27

Data from ChEMBL 36 via Core Engine