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Compound Detail

CHEMBL1191761

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O=c1c2cccc3c2c(cn1[C@@H]1CN2CCC1CC2)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191761
Phase Preclinical
Structure Type MOL
InChI Key ZQKHVGQLGVEBHY-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.15
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O
MW 308.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine