TCMDC-140981
FEATURES
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NAMES
  • TCMDC-140981
SMILES
COc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5nc[nH]c(=O)c5c4)CC3)c2c1.O=C(O)C(=O)O
InChI
InChI=1S/C26H29N5O3.C2H2O4/c1-34-19-3-5-23-21(13-19)20(6-9-27-23)25(32)15-31-10-7-18(8-11-31)28-14-17-2-4-24-22(12-17)26(33)30-16-29-24;3-1(4)2(5)6/h2-6,9,12-13,16,18,25,28,32H,7-8,10-11,14-15H2,1H3,(H,29,30,33);(H,3,4)(H,5,6)/t25-;/m0./s1
MOLECULAR FORMULA
C28H31N5O7
CROSS REFERENCES
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TCMDC-140981
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight549.22
AlogP1.92
HBond donors5
HBond acceptors12
Atoms71
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140981.