PDB CCD ID: | 1Q5 |
Number of entries in BioLiP: | 6 |
Chemical formula: | C21 H30 N2 O |
InChI: | InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23) |
InChIKey: | VIZBSVDBNLAVAW-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O(c1c(cc(cc1C)C)C)c2nc(cc(c2C)NC(CC)CC)C | OpenEye OEToolkits 1.7.6 | CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C | CACTVS 3.370 | CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C |
|
Name: | 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine |
ChEMBL: | CHEMBL270948 |
ZINC: | ZINC000014975027 |