Ro-5028442
[6-chloro-1-[2-(dimethylamino)ethyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
Molecular Identity
Ro-5028442
[6-chloro-1-[2-(dimethylamino)ethyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
PubChem CID: 59657596
2D Structure
Properties
C25H28ClN3O2
Molecular Formula
438.00
Molecular Weight
g/mol
437.1870
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
37.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
651
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCN1C=C(C2=C1C=C(C=C2)Cl)C(=O)N3CCC4(CC3)C5=CC=CC=C5CO4Isomeric SMILES
SMILES: CN(C)CCN1C=C(C2=C1C=C(C=C2)Cl)C(=O)N3CCC4(CC3)C5=CC=CC=C5CO4Synonyms(20)
920022-47-5Ro5028442Ro-5028442LZ0EU1YHCK(6-Chloro-1-(2-(dimethylamino)ethyl)indol-3-yl)-spiro(1H-isobenzofuran-3,4'-piperidine)-1'-yl-methanoneMethanone, (6-chloro-1-(2-(dimethylamino)ethyl)-1H-indol-3-yl)spiro(isobenzofuran-1(3H),4'-piperidin)-1'-yl-[6-Chloro-1-[2-(dimethylamino)ethyl]indol-3-yl]-spiro[1H-isobenzofuran-3,4'-piperidine]-1'-yl-methanoneRefChem:179698(2-(6-chloro-3-((3H-spiro(2-benzofuran-1,4'-piperidine)-1'-yl)carbonyl)-1H-indol-1-yl)ethyl)dimethylamine(2-(6-chloro-3-((3H-spiro(2-benzofuran-1,4'-piperidine)-1'-yl)carbonyl)-2,3-dihydro-1H-indol-1-yl)ethyl)dimethylamineRG7713UNII-LZ0EU1YHCKCHEMBL3416885RO 5028442 (RG7713)[6-chloro-1-[2-(dimethylamino)ethyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
Data from PubChem (NCBI)
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