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Compound Detail

CHEMBL3719383

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CC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3719383
Phase Preclinical
Structure Type MOL
InChI Key OLPMUAYETFSITJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.94
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.84
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 C17H20N4O2
MW 312.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine