| PDB CCD ID: | 4OI |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H12 N4 O |
| InChI: | InChI=1S/C12H12N4O/c17-12(16-9-6-14-15-7-9)11-4-10(11)8-2-1-3-13-5-8/h1-3,5-7,10-11H,4H2,(H,14,15)(H,16,17)/t10-,11+/m0/s1 |
| InChIKey: | ONPYJJLGIGTZEH-WDEREUQCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C(Nc1c[nH]nc1)[CH]2C[CH]2c3cccnc3 | | OpenEye OEToolkits 2.0.7 | c1cc(cnc1)C2CC2C(=O)Nc3c[nH]nc3 | | OpenEye OEToolkits 2.0.7 | c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3 | | CACTVS 3.385 | O=C(Nc1c[nH]nc1)[C@@H]2C[C@H]2c3cccnc3 |
|
| Name: | (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide |
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