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TCMDC-135504
FEATURES
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NAMES
  • TCMDC-135504
SMILES
O=C([C@H]1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12)N1CCN(c2ncccn2)CC1
InChI
InChI=1S/C24H26N6O3/c31-23(27-14-16-28(17-15-27)24-25-11-5-12-26-24)22-8-3-4-13-29(22)20-9-10-21(30(32)33)19-7-2-1-6-18(19)20/h1-2,5-7,9-12,22H,3-4,8,13-17H2/t22-/m1/s1
MOLECULAR FORMULA
C24H26N6O3
CROSS REFERENCES
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TCMDC-135504

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 446.21
AlogP 3.25
HBond donors 0
HBond acceptors 9
Atoms 59
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-135504.