| PDB CCD ID: | ULH |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H21 N3 O3 |
| InChI: | InChI=1S/C19H21N3O3/c1-12(13-6-4-3-5-7-13)22-11-14(17(23)21-15-8-9-15)10-16(19(22)25)18(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1 |
| InChIKey: | AYQUCQJYWKQBRS-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3 | | CACTVS 3.385 | CNC(=O)C1=CC(=CN([CH](C)c2ccccc2)C1=O)C(=O)NC3CC3 | | CACTVS 3.385 | CNC(=O)C1=CC(=CN([C@H](C)c2ccccc2)C1=O)C(=O)NC3CC3 | | OpenEye OEToolkits 2.0.7 | CC(c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3 |
|
| Name: | ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide |
| ChEMBL: | CHEMBL4644310 |
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