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MRS-4074
FEATURES
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NAMES
  • MRS-4074
SMILES
CC(C)OP(=O)(OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(Cl)nc31)[C@H](O)[C@@H]2O)OC(C)C
InChI
InChI=1S/C18H27ClN5O6P/c1-8(2)29-31(27,30-9(3)4)28-6-18-5-10(18)12(13(25)14(18)26)24-7-21-11-15(20)22-17(19)23-16(11)24/h7-10,12-14,25-26H,5-6H2,1-4H3,(H2,20,22,23)/t10-,12-,13+,14+,18+/m1/s1
MOLECULAR FORMULA
C18H27ClN5O6P
CROSS REFERENCES
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MRS-4074

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 475.14
AlogP 2.32
HBond donors 4
HBond acceptors 11
Atoms 58
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by MRS-4074.