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Compound Detail

CHEMBL3546400

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CC1CN/C(=N\c2cccc3c2CCC3)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546400
Phase Preclinical
Structure Type MOL
InChI Key HDCMTJIUCVGAOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
2.83
ALogP
1
HBA
1
HBD
24.4
PSA (Ų)
0.76
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 C14H18N2
MW 214.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine