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3Q6
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NAMES
  • 3Q6
SMILES
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2cc(-c3ccc4c(N)[nH]nc4c3)nc(N)n2)C1
InChI
InChI=1S/C22H30N8O2/c1-12-7-14(25-21(31)32-22(2,3)4)11-30(10-12)18-9-16(26-20(24)27-18)13-5-6-15-17(8-13)28-29-19(15)23/h5-6,8-9,12,14H,7,10-11H2,1-4H3,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t12-,14-/m1/s1
MOLECULAR FORMULA
C22H30N8O2
CROSS REFERENCES
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3Q6

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 438.25
AlogP 2.92
HBond donors 6
HBond acceptors 10
Atoms 62
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 3Q6.