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MRS-5166
FEATURES
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NAMES
  • MRS-5166
SMILES
CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O
InChI
InChI=1S/C28H33ClN8O4/c1-31-27(41)28-13-18(28)22(23(39)24(28)40)37-15-34-21-25(33-14-16-6-5-7-17(29)12-16)35-19(36-26(21)37)8-3-2-4-9-20(38)32-11-10-30/h5-7,12,15,18,22-24,39-40H,2,4,9-11,13-14,30H2,1H3,(H,31,41)(H,32,38)(H,33,35,36)/t18-,22-,23+,24+,28+/m1/s1
MOLECULAR FORMULA
C28H33ClN8O4
CROSS REFERENCES
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MRS-5166

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 580.23
AlogP 0.72
HBond donors 7
HBond acceptors 12
Atoms 74
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by MRS-5166.