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TCMDC-140961
FEATURES
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NAMES
  • TCMDC-140961
SMILES
O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)c(OCCN2CCN(CCN3CCCC3)CC2)c1.O=C(O)C(=O)O
InChI
InChI=1S/C27H34BrClN4O2.C2H2O4/c28-24-9-8-23(30-27(34)10-7-22-5-1-2-6-25(22)29)21-26(24)35-20-19-33-17-15-32(16-18-33)14-13-31-11-3-4-12-31;3-1(4)2(5)6/h1-2,5-10,21H,3-4,11-20H2,(H,30,34);(H,3,4)(H,5,6)/b10-7+;
MOLECULAR FORMULA
C29H36BrClN4O6
CROSS REFERENCES
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TCMDC-140961

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 650.15
AlogP 4.00
HBond donors 3
HBond acceptors 10
Atoms 77
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140961.