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Compound Detail

CHEMBL1194004

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ClCCN(CCCl)c1ccc(OCCCNc2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194004
Phase Preclinical
Structure Type MOL
InChI Key ZNWKRDRQLSWIFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.4
MW (Da)
6.55
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27Cl2N3O
MW 468.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine