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Compound Detail

CHEMBL3139654

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O=C(NCc1ccc(C2=NCCN2)cc1)c1cccc(C(=O)NCc2ccc(C3=NCCN3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139654
Phase Preclinical
Structure Type MOL
InChI Key KGGOIMPKJFXTNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
2.25
ALogP
6
HBA
4
HBD
107.0
PSA (Ų)
0.40
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 C28H28N6O2
MW 480.57
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine