| PDB CCD ID: | 9H3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H21 N3 O3 |
| InChI: | InChI=1S/C20H21N3O3/c24-17-13-5-1-3-7-15(13)21-19(22-17)23-11-9-20(10-12-23)14-6-2-4-8-16(14)26-18(20)25/h2,4,6,8H,1,3,5,7,9-12H2,(H,21,22,24) |
| InChIKey: | XGTNOTWEBRRAKO-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1NC(=NC2=C1CCCC2)N3CCC4(CC3)C(=O)Oc5ccccc45 | | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2 | | ACDLabs 12.01 | C15(C(Oc2c1cccc2)=O)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5 |
|
| Name: | 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one |
| ChEMBL: | CHEMBL4575275 |
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