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Compound Detail

CHEMBL1181224

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CN1CCC=C(c2nc(C3CCC3)no2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181224
Phase Preclinical
Structure Type MOL
InChI Key HTDIFLGHYUHKNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
2.06
ALogP
4
HBA
0
HBD
42.2
PSA (Ų)
0.76
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 C12H17N3O
MW 219.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine