MRS4174
SMILES | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O |
InChIKey | FMXSYRBHGUMFBA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 6 |
Rotatable bonds | 21 |
Molecular weight (Da) | 1213.4 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |