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TCMDC-131341
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NAMES
  • TCMDC-131341
SMILES
Br.C=CCc1cc(Br)ccc1OCCCON1C(N)=NC(N)=NC1(C)C
InChI
InChI=1S/C17H24BrN5O2.BrH/c1-4-6-12-11-13(18)7-8-14(12)24-9-5-10-25-23-16(20)21-15(19)22-17(23,2)3;/h4,7-8,11H,1,5-6,9-10H2,2-3H3,(H4,19,20,21,22);1H
MOLECULAR FORMULA
C17H25Br2N5O2
CROSS REFERENCES
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TCMDC-131341

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 489.04
AlogP 3.14
HBond donors 4
HBond acceptors 7
Atoms 51
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 TCMDC-131341.