SECANTIOQUINE
SMILES | COc1cc2c(cc1Oc1c(O)c(OC)cc3c1[C@H](Cc1ccc(OC)c(-c4cc(C=O)ccc4O)c1)N(C)CC3)C(=O)N(C)CC2 |
InChIKey | ZOBAYWQPWZMJPP-NDEPHWFRSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 638.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |