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NSC-77521
FEATURES
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NAMES
  • NSC-77521
SMILES
Nc1ccc2c(O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(/N=N/c7cc(O)ccc7O)c(N)c6c5O)cc4)cc3)c(S(=O)(=O)O)cc2c1
InChI
InChI=1S/C38H28N8O13S3/c39-22-5-11-26-20(13-22)14-30(61(54,55)56)35(37(26)49)45-41-23-6-1-18(2-7-23)19-3-8-24(9-4-19)42-46-36-31(62(57,58)59)16-21-15-29(60(51,52)53)34(33(40)32(21)38(36)50)44-43-27-17-25(47)10-12-28(27)48/h1-17,47-50H,39-40H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)/b44-43+,45-41+,46-42+
MOLECULAR FORMULA
C38H28N8O13S3
CROSS REFERENCES
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NSC-77521

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 900.09
AlogP 8.63
HBond donors 11
HBond acceptors 21
Atoms 90
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by NSC-77521.