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Compound Detail

CHEMBL1193398

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NCCNCCCNC(=O)c1cccc2cc3ccccc3nc12

Basic Information

ChEMBL ID CHEMBL1193398
Phase Preclinical
Structure Type MOL
InChI Key SDGDOHYVIQIVQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.06
ALogP
4
HBA
3
HBD
80.0
PSA (Ų)
0.46
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 C19H22N4O
MW 322.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine