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T77
FEATURES
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NAMES
  • T77
SMILES
CN(C)CCOc1ccc(-c2[nH]c3ncnc(NCC4SCCS4)c3c2-c2ccccc2)cc1
InChI
InChI=1S/C26H29N5OS2/c1-31(2)12-13-32-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)30-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H2,27,28,29,30)
MOLECULAR FORMULA
C26H29N5OS2
CROSS REFERENCES
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T77

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 491.18
AlogP 5.45
HBond donors 2
HBond acceptors 6
Atoms 63
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 T77.