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Compound Detail

CHEMBL1187418

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CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187418
Phase Preclinical
Structure Type MOL
InChI Key JYDSPORIDWNWOG-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.3
MW (Da)
6.28
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21Cl2N
MW 358.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine