SNAP 398299   Click here for help

GtoPdb Ligand ID: 6125

Synonyms: SNAP-398299 | SNAP398299
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 45.14
Molecular weight 479.18
XLogP 5.15
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2
Isomeric SMILES O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2
InChI InChI=1S/C27H24F3N3O2/c28-27(29,30)19-7-5-8-20(17-19)31-25-23-11-1-2-12-24(23)33(26(25)34)21-9-6-10-22(18-21)35-16-15-32-13-3-4-14-32/h1-2,5-12,17-18H,3-4,13-16H2
InChI Key HXCJZIBJTFITNI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
Synonyms Click here for help
SNAP-398299 | SNAP398299
Database Links Click here for help
CAS Registry No. 903878-06-8 (source: SciFinder)
GtoPdb PubChem SID 178102746
PubChem CID 11698643
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Tocris
SNAP 398299
Cat. No. 5426