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Compound Detail

CHEMBL3039976

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COCC[C@H]1C[C@@H]1c1cncc(OC[C@H]2NC[C@@H]3C[C@@H]32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039976
Phase Preclinical
Structure Type MOL
InChI Key UARCVDRJPGUHGR-MUMJOVGASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
2.21
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.84
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 C17H24N2O2
MW 288.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.81

Data from ChEMBL 36 via Core Engine