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TCMDC-135355
FEATURES
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NAMES
  • TCMDC-135355
SMILES
O=C(O[C@@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c3s2)C1)N1CCCC1
InChI
InChI=1S/C31H28FN7O2S/c32-22-5-3-4-20(12-22)18-39-28-9-7-24(13-21(28)16-36-39)37-30-29-27(34-19-35-30)15-26(42-29)8-6-23-14-25(17-33-23)41-31(40)38-10-1-2-11-38/h3-5,7,9,12-13,15-16,19,23,25,33H,1-2,10-11,14,17-18H2,(H,34,35,37)/t23-,25+/m1/s1
MOLECULAR FORMULA
C31H28FN7O2S
CROSS REFERENCES
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TCMDC-135355

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 581.20
AlogP 5.29
HBond donors 2
HBond acceptors 9
Atoms 70
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 TCMDC-135355.