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Compound Detail

CHEMBL1194825

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ClCCN(CCCl)c1ccc(CCCCCNc2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194825
Phase Preclinical
Structure Type MOL
InChI Key IMFGGYMFQQRZID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
7.50
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.13
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31Cl2N3
MW 480.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine