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TCMDC-138517
FEATURES
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NAMES
  • TCMDC-138517
SMILES
O=CO.c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)CCO2)N(c1ncnc(N2CCN(CCCN4CCOCC4)CC2)n1)CC3
InChI
InChI=1S/C33H40N8O2.CH2O2/c1-2-5-28-26(4-1)27-8-12-41(31(30(27)36-28)25-6-7-29-24(22-25)9-19-43-29)33-35-23-34-32(37-33)40-15-13-38(14-16-40)10-3-11-39-17-20-42-21-18-39;2-1-3/h1-2,4-7,22-23,31,36H,3,8-21H2;1H,(H,2,3)
MOLECULAR FORMULA
C34H42N8O4
CROSS REFERENCES
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TCMDC-138517

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 626.33
AlogP 2.98
HBond donors 2
HBond acceptors 12
Atoms 88
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-138517.