| PDB CCD ID: | BWA |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C22 H18 N4 O3 |
| InChI: | InChI=1S/C22H18N4O3/c27-20-18-5-1-2-6-19(18)21(28)26(20)14-15-7-9-17(10-8-15)25-22(29)24-13-16-4-3-11-23-12-16/h1-12H,13-14H2,(H2,24,25,29) |
| InChIKey: | KKBVILNJYCRNQY-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4 | | CACTVS 3.385 | O=C(NCc1cccnc1)Nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2 | | ACDLabs 12.01 | c1(ccc(cc1)CN3C(=O)c2ccccc2C3=O)NC(=O)NCc4cnccc4 |
|
| Name: | N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea |
| ChEMBL: | CHEMBL4206641 |
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