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TCMDC-138163
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NAMES
  • TCMDC-138163
SMILES
COc1cc2nc(N3CCC(CNC(=O)/C=C/c4ccccc4F)CC3)nc(N)c2cc1OC.Cl
InChI
InChI=1S/C25H28FN5O3.ClH/c1-33-21-13-18-20(14-22(21)34-2)29-25(30-24(18)27)31-11-9-16(10-12-31)15-28-23(32)8-7-17-5-3-4-6-19(17)26;/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,28,32)(H2,27,29,30);1H/b8-7+;
MOLECULAR FORMULA
C25H29ClFN5O3
CROSS REFERENCES
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TCMDC-138163

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 501.19
AlogP 3.84
HBond donors 3
HBond acceptors 8
Atoms 64
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-138163.