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29C
FEATURES
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NAMES
  • 29C
SMILES
Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1
InChI
InChI=1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)/t16-,17-,18-/m0/s1
MOLECULAR FORMULA
C29H33N9O12
CROSS REFERENCES
  • UniChem: 27307281
  • canSAR: 1968562
  • PDBe (Protein Data Bank Europe): 29C
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29C

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 699.22
AlogP -1.35
HBond donors 11
HBond acceptors 21
Atoms 83
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 29C.