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Compound Detail

CHEMBL1789778

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N=C(N)[C@@H]1CCCN1C(=O)c1ccc(-c2nc(-c3cccc(CCC4CCCCC4)c3)c[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL1789778
Phase Preclinical
Structure Type MOL
InChI Key KZRCYWLOQSQVRX-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
5.80
ALogP
3
HBA
3
HBD
98.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35N5O
MW 469.63
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine