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TCMDC-138985
FEATURES
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NAMES
  • TCMDC-138985
SMILES
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(-c4noc(C)n4)cc3)cc2)cc1OCCN(C)C.O=C(O)C(=O)O
InChI
InChI=1S/C29H30N4O4.C2H2O4/c1-20-30-29(32-37-20)24-12-10-23(11-13-24)22-8-5-21(6-9-22)7-16-28(34)31-25-14-15-26(35-4)27(19-25)36-18-17-33(2)3;3-1(4)2(5)6/h5-16,19H,17-18H2,1-4H3,(H,31,34);(H,3,4)(H,5,6)/b16-7+;
MOLECULAR FORMULA
C31H32N4O8
CROSS REFERENCES
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TCMDC-138985

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 588.22
AlogP 4.47
HBond donors 3
HBond acceptors 12
Atoms 75
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-138985.