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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036101

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

Formula: C45H64N7O19P3S-4  |  Mol. Weight: 1132.00 g/mol

IUPAC: [5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-[4-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-oxopentanoyl]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 C45H64N7O19P3S-4
Molecular Weight 1132.00 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)([O-])[O-])O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy