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D3A
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NAMES
  • D3A
SMILES
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)O)CC3)c3cccn3-c3ccc(Cl)cc32)c1OC
InChI
InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1
MOLECULAR FORMULA
C29H31ClN2O6
CROSS REFERENCES
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D3A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 538.19
AlogP 5.41
HBond donors 1
HBond acceptors 8
Atoms 69
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 D3A.