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TCMDC-124251
FEATURES
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NAMES
  • TCMDC-124251
SMILES
CS(=O)(=O)O.Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12
InChI
InChI=1S/C26H29N5O2S.CH4O3S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24;1-5(2,3)4/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31);1H3,(H,2,3,4)
MOLECULAR FORMULA
C27H33N5O5S2
CROSS REFERENCES
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TCMDC-124251

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 571.19
AlogP 4.07
HBond donors 5
HBond acceptors 10
Atoms 72
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 TCMDC-124251.