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PF-05139962
FEATURES
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NAMES
  • PF-05139962
SMILES
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CS(=O)(=O)CC3)cc1
InChI
InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-6-4-15(5-7-16)19-24-18-8-11-31(28,29)13-17(18)20(25-19)26-9-10-30-12-14(26)2/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,27)/t14-/m0/s1
MOLECULAR FORMULA
C21H27N5O4S
CROSS REFERENCES
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PF-05139962

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 445.18
AlogP 1.98
HBond donors 2
HBond acceptors 9
Atoms 58
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 PF-05139962.