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Compound Detail

CHEMBL1789334

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N=C(N)C1(C(=O)Nc2ccc(CCCCCCCCCc3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789334
Phase Preclinical
Structure Type MOL
InChI Key XOPQNCUKMOHSJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.6
MW (Da)
5.86
ALogP
2
HBA
3
HBD
79.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N3O
MW 405.59
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine