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TCMDC-131823
FEATURES
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NAMES
  • CB-3717
  • CB3
  • TCMDC-131823
SMILES
C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChI
InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
MOLECULAR FORMULA
C24H23N5O6
CROSS REFERENCES
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TCMDC-131823

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 477.16
AlogP 1.19
HBond donors 6
HBond acceptors 11
Atoms 58
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-131823.