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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035440

Telocinobufatoxin

Formula: C38H58N4O9  |  Mol. Weight: 714.90 g/mol

IUPAC: (2S)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid

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Overview

Molecular Formula C38H58N4O9
Molecular Weight 714.90 g/mol
Canonical SMILES CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy