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Compound Detail

CHEMBL1194721

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Oc1cccc(C2CNCCc3c2cc(O)c(O)c3Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194721
Phase Preclinical
Structure Type MOL
InChI Key IFUGHZWPGOPLQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.8
MW (Da)
2.73
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.61
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 C16H16ClNO3
MW 305.76
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.92

Data from ChEMBL 36 via Core Engine