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PNU-145156E
FEATURES
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NAMES
  • PNU-145156E
SMILES
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1
InChI
InChI=1S/C45H40N10O17S4/c1-52-19-27(13-35(52)41(56)46-25-7-5-23-9-31(73(61,62)63)17-39(33(23)11-25)75(67,68)69)48-43(58)37-15-29(21-54(37)3)50-45(60)51-30-16-38(55(4)22-30)44(59)49-28-14-36(53(2)20-28)42(57)47-26-8-6-24-10-32(74(64,65)66)18-40(34(24)12-26)76(70,71)72/h5-22H,1-4H3,(H,46,56)(H,47,57)(H,48,58)(H,49,59)(H2,50,51,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)
MOLECULAR FORMULA
C45H40N10O17S4
CROSS REFERENCES
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PNU-145156E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1120.15
AlogP 4.99
HBond donors 10
HBond acceptors 27
Atoms 116
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 PNU-145156E.