Structure details of probe Ogerin and control ZINC32547799
| Ogerin | ZINC32547799 | |
|---|---|---|
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| IUPAC name | (2-(6-amino-4-(phenyl-methylamino)-1,3,5-triazin-2-yl)-phenyl)-methanol | (3-(6-amino-4-(phenyl-methylamino)-1,3,5-triazin-2-yl)-phenyl)-methanol |
| Molecular weight | 307.14 g/mol | 307.14 g/mol |
| SMILES | C(c1ccccc1)Nc1nc(c2ccccc2CO)nc(N)n1 | C(c1ccccc1)Nc1nc(c2cccc(CO)c2)nc(N)n1 |
| InChi | InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22) | InChI=1S/C17H17N5O/c18-16-20-15(14-8-4-7-13(9-14)11-23)21-17(22-16)19-10-12-5-2-1-3-6-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22) |
| InChi key | MDGIEDNDSFMSLP-UHFFFAOYSA-N | RVKAHYFWSKSSQQ-UHFFFAOYSA-N |
| Molecular formular | C17H17N5O | C17H17N5O |
| Number of chiral centres | 0 | 0 |
| Number of rotational bonds | 5 | 5 |
| Number of hydrogen bond acceptors | 4 | 4 |
| Number of hydrogen bond donors | 4 | 4 |