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Compound Detail

CHEMBL1178015

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Clc1ccc(OCCc2ccccc2)c(CCCN2CCN(c3ccccc3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178015
Phase Preclinical
Structure Type MOL
InChI Key YWMWWYCRLCCWMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.0
MW (Da)
5.72
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31ClN2O
MW 435.01
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine