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TCMDC-131338
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NAMES
  • TCMDC-131338
SMILES
Br.CCCc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C
InChI
InChI=1S/C18H29N5O3.BrH/c1-5-8-13-9-6-10-14(24-4)15(13)25-11-7-12-26-23-17(20)21-16(19)22-18(23,2)3;/h6,9-10H,5,7-8,11-12H2,1-4H3,(H4,19,20,21,22);1H
MOLECULAR FORMULA
C18H30BrN5O3
CROSS REFERENCES
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TCMDC-131338

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 443.15
AlogP 2.61
HBond donors 4
HBond acceptors 8
Atoms 57
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-131338.