[3H]LTC4   Click here for help

GtoPdb Ligand ID: 6195

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: The position of the radiolabelled hydrogen is unknown.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 21
Topological polar surface area 149.23
Molecular weight 480.24
XLogP 5.22
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SC[CH]C(=O)NCC(=O)O
Isomeric SMILES CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[CH]C(=O)NCC(=O)O
InChI InChI=1S/C25H38NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(27)15-14-17-24(29)30)33-19-18-23(28)26-20-25(31)32/h6-7,9-13,16,18,21-22,27H,2-5,8,14-15,17,19-20H2,1H3,(H,26,28)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t21-,22+/m0/s1
InChI Key REQYIPCNJGLJSE-FSKXFZJASA-N
Classification Click here for help
Compound class Synthetic organic
Database Links Click here for help
GtoPdb PubChem SID 178102816
PubChem CID 73755045
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