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Compound Detail

CHEMBL1193186

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Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(CCc2cccnc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193186
Phase Preclinical
Structure Type MOL
InChI Key MXIBLISOEJHEAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.0
MW (Da)
5.37
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClN3
MW 415.97
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine