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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036100

[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate

Formula: C48H72N7O19P3S-4  |  Mol. Weight: 1176.10 g/mol

IUPAC: [5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-[6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate

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Overview

Molecular Formula C48H72N7O19P3S-4
Molecular Weight 1176.10 g/mol
Canonical SMILES CC(CCC(C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O)C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy