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Compound Detail

CHEMBL3742489

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c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3742489
Phase Preclinical
Structure Type MOL
InChI Key NNVMIQMBTAAZFU-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.97
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO3
MW 375.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine