| PDB CCD ID: | 6QY |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C19 H29 N5 O |
| InChI: | InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15- |
| InChIKey: | JPINYIWLTLYJCV-SHTZXODSSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23 | | CACTVS 3.385 | CN(C)[C@H]1CC[C@@H](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23 | | OpenEye OEToolkits 2.0.5 | CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4 |
|
| Name: | ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine |
| ChEMBL: | CHEMBL4089379 |
zhanggroup.org