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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032893

Conofoline

Formula: C43H52N4O7  |  Mol. Weight: 736.90 g/mol

IUPAC: methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1S,9S,12S,13S,15R,20R)-12-ethyl-8-methyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

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Overview

Molecular Formula C43H52N4O7
Molecular Weight 736.90 g/mol
Canonical SMILES CCC12CCC3C4(C1N(CC4)CC5C2O5)C6=C(N3C)C=CC(=C6)C7C8C(O8)C9(CC(=C1C2(C9N7CC2)C2=CC(=C(C(=C2N1)OC)OC)O)C(=O)OC)CC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy