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Compound Detail

CHEMBL1193754

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O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1

Basic Information

ChEMBL ID CHEMBL1193754
Phase Preclinical
Structure Type MOL
InChI Key QZQWJHRBWOHVPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.0
MW (Da)
5.96
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.40
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 C26H32ClNO2
MW 426.00
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine