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TCMDC-136275
FEATURES
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NAMES
  • TCMDC-136275
SMILES
COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@@H](CNCc4cc(C#N)c5c(c4)OCCO5)C3)c2n1.Cl
InChI
InChI=1S/C26H28FN5O4.ClH/c1-34-24-3-2-21-25(31-24)19(20(27)13-30-21)4-5-32-14-18(22(33)15-32)12-29-11-16-8-17(10-28)26-23(9-16)35-6-7-36-26;/h2-3,8-9,13,18,22,29,33H,4-7,11-12,14-15H2,1H3;1H/t18-,22+;/m0./s1
MOLECULAR FORMULA
C26H29ClFN5O4
CROSS REFERENCES
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TCMDC-136275

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 529.19
AlogP 2.47
HBond donors 2
HBond acceptors 9
Atoms 66
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-136275.