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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP088644

Doxycycline

Formula: C22H24N2O8  |  Mol. Weight: 444.40 g/mol

IUPAC: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

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Overview

Molecular Formula C22H24N2O8
Molecular Weight 444.40 g/mol
Canonical SMILES CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets

Disease Associations