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NEU-0000335
FEATURES
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NAMES
  • NEU-0000335
SMILES
CC(C)C(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
InChI
InChI=1S/C28H34N6O2/c1-19(2)25(20-7-5-4-6-8-20)28(36)34-17-23-24(18-34)30-31-26(23)29-27(35)21-9-11-22(12-10-21)33-15-13-32(3)14-16-33/h4-12,19,25H,13-18H2,1-3H3,(H2,29,30,31,35)
MOLECULAR FORMULA
C28H34N6O2
CROSS REFERENCES
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NEU-0000335

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 486.27
AlogP 3.70
HBond donors 2
HBond acceptors 8
Atoms 70
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 NEU-0000335.