BC-7013   Click here for help

GtoPdb Ligand ID: 11034

Synonyms: BC7013
Compound class: Synthetic organic
Comment: BC-7013 is a pleuromutilin antibiotic. The chemical structure shown here was drawn from Tang et al. (2012) [1-2].
In 2007 retapamulin became the first pleuromutilin approved for use in humans, and lefamulin was FDA approved in 2019.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 109.13
Molecular weight 500.26
XLogP 4.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(cc2)CO)[C@]2(C)C(C)CC[C@]3([C@H]([C@@H]1O)C)C2C(=O)CC3
Isomeric SMILES C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(cc2)CO)[C@]2(C)C(C)CC[C@]3([C@H]([C@@H]1O)C)C2C(=O)CC3
InChI InChI=1S/C29H40O5S/c1-6-27(4)15-23(34-24(32)17-35-21-9-7-20(16-30)8-10-21)28(5)18(2)11-13-29(19(3)26(27)33)14-12-22(31)25(28)29/h6-10,18-19,23,25-26,30,33H,1,11-17H2,2-5H3/t18?,19-,23+,25?,26-,27+,28-,29-/m0/s1
InChI Key NOQBAJLIGCZEQP-CREOWZIVSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
BC7013
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 186
Other databases
GtoPdb PubChem SID 405560475
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