Oprea1_724488
SMILES | CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4C)O)O |
InChIKey | HBTMNVJREDWGSK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 412.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |