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Compound Detail

CHEMBL4300733

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COc1cc2c(cc1OC)C(C)N(C1CCCCC1O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300733
Phase Preclinical
Structure Type MOL
InChI Key BTTDLULWNCARCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
2.93
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27NO3
MW 305.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.83

Data from ChEMBL 36 via Core Engine