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Compound Detail

CHEMBL1198252

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CNC[C@@H](O)[C@H](c1ccccc1)N1CCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198252
Phase Preclinical
Structure Type MOL
InChI Key QGRXBVDPAGZYDU-MSOLQXFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.37
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O
MW 282.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine