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Compound Detail

CHEMBL1789820

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Cc1cc(NCCCN)c2ccc3c(ccc4c(NCCCN)cc(C)nc43)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789820
Phase Preclinical
Structure Type MOL
InChI Key LNHXTFQRXBQDOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)
4.07
ALogP
6
HBA
4
HBD
101.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N6
MW 402.55
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine