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DE9
FEATURES
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NAMES
  • DE9
SMILES
CC1=Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C
InChI
InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,32-33H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-
MOLECULAR FORMULA
C30H30N4O4
CROSS REFERENCES
  • UniChem: 79313144
  • canSAR: 1441222
  • PDBe (Protein Data Bank Europe): DE9
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DE9

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 510.23
AlogP 6.30
HBond donors 4
HBond acceptors 8
Atoms 68
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 DE9.