(S)-TBPG   Click here for help

GtoPdb Ligand ID: 3419

Synonyms: S-TBPG
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 117.78
Molecular weight 209.09
XLogP -2.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(C12CC(C1)(C2)c1n[nH]nn1)N
Isomeric SMILES OC(=O)[C@H](C12CC(C1)(C2)c1n[nH]nn1)N
InChI InChI=1S/C8H11N5O2/c9-4(5(14)15)7-1-8(2-7,3-7)6-10-12-13-11-6/h4H,1-3,9H2,(H,14,15)(H,10,11,12,13)/t4-,7?,8?/m1/s1
InChI Key XYCORZCGVTXZFU-XOJFDHPMSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-2-[3-(2H-1,2,3,4-tetrazol-5-yl)bicyclo[1.1.1]pentan-1-yl]acetic acid
Synonyms Click here for help
S-TBPG
Database Links Click here for help
ChEMBL Ligand CHEMBL2204334
GtoPdb PubChem SID 178100425
PubChem CID 10058919
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