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Compound Detail

CHEMBL346962

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C=CCC1c2ccccc2CCN1CC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346962
Phase Preclinical
Structure Type MOL
InChI Key YISICYBGUMLSRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

255.4
MW (Da)
2.16
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.83
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 C16H21N3
MW 255.37
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine