PDB CCD ID: | 6DX |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H25 N9 O |
InChI: | InChI=1S/C21H25N9O/c22-19-25-20(26-21-24-18(27-30(19)21)17-8-4-15-31-17)23-9-5-10-28-11-13-29(14-12-28)16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2,(H3,22,23,24,25,26,27) |
InChIKey: | ATLUGIZVRICDDK-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | Nc1nc(NCCCN2CCN(CC2)c3ccccc3)nc4nc(nn14)c5occc5 | ACDLabs 12.01 | C2N(CCN(c1ccccc1)C2)CCCNc5nc(N)n3c(nc(n3)c4ccco4)n5 | OpenEye OEToolkits 2.0.4 | c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N |
|
Name: | 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
ChEMBL: | CHEMBL187810 |
ZINC: | ZINC000028390122 |