JMV 3002
SMILES | COC1=CC(=C(C=C1)CN2C(=NN=C2[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=N5)CCC6=CC=CC=C6)OC |
InChIKey | UMGBPWZCCHVQAY-WJOKGBTCSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 586.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |