NS1643   Click here for help

GtoPdb Ligand ID: 2308

Synonyms: NS 1643 | NS-1643
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 81.59
Molecular weight 380.06
XLogP 4.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1cc(ccc1O)C(F)(F)F)Nc1cc(ccc1O)C(F)(F)F
Isomeric SMILES O=C(Nc1cc(ccc1O)C(F)(F)F)Nc1cc(ccc1O)C(F)(F)F
InChI InChI=1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)
InChI Key NJFVQMRYJZHGME-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea
Synonyms Click here for help
NS 1643 | NS-1643
Database Links Click here for help
CAS Registry No. 448895-37-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1514181
GtoPdb PubChem SID 135650743
PubChem CID 10177784
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Tocris
NS 1643
Cat. No. 3062