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2B7
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NAMES
  • 2B7
SMILES
C=CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CCC(C)C)c2s1
InChI
InChI=1S/C20H23N5O2S/c1-4-8-22-19(27)24-20-23-16-11-15(14-6-5-9-21-12-14)17(26)25(18(16)28-20)10-7-13(2)3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H2,22,23,24,27)
MOLECULAR FORMULA
C20H23N5O2S
CROSS REFERENCES
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2B7

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 397.16
AlogP 3.87
HBond donors 2
HBond acceptors 7
Atoms 51
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 2B7.