CAS ID: | 502632-66-8 |
Molecular Formula: | C29H35NO8 |
Molecular Weight: | 525.6 g/mol |
Monoisotopic Mass: | 525.2363 g/mol |
Class: | Small Molecule |
Natural Product: | No |
Other Names: | Sonolisib | PX-866 |
Analysis: | Drug repositioning mechanism analysis |
InChI: | InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1 | See All |
InChI Key: | QIUASFSNWYMDFS-NILGECQDSA-N | |
Smiles: | COC[C@H]1OC(=O)\C(=C\N(CC=C)CC=C)\C2=C(O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(=O)C)[C@@]12C | See All |
Molfile: | Download |
Reference Record 1
PubChem: | 9849735 |
ChEMBL: | CHEMBL411907 |