| PDB CCD ID: | X19 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H23 N3 O |
| InChI: | InChI=1S/C14H23N3O/c1-5-14(2,3)9-6-7-11-10(8-9)12(17-16-11)13(18)15-4/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-/m0/s1 |
| InChIKey: | WWJOMFPVPCGAKO-VIFPVBQESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CCC(C)(C)[C@H]1CCc2c(c([nH]n2)C(=O)NC)C1 | | CACTVS 3.370 | CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)NC)c2C1 | | ACDLabs 12.01 | O=C(c1c2c(nn1)CCC(C2)C(C)(C)CC)NC | | OpenEye OEToolkits 1.7.0 | CCC(C)(C)C1CCc2c(c([nH]n2)C(=O)NC)C1 | | CACTVS 3.370 | CCC(C)(C)[CH]1CCc2n[nH]c(C(=O)NC)c2C1 |
|
| Name: | (5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide |
| ZINC: | ZINC000095921181 |
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