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TCMDC-138718
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NAMES
  • TCMDC-138718
SMILES
COc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)nc(N)c2cc1OC
InChI
InChI=1S/C29H30ClN5O3/c1-37-25-15-23-24(16-26(25)38-2)33-29(34-27(23)31)35-13-11-18(12-14-35)17-32-28(36)21-5-3-19(4-6-21)20-7-9-22(30)10-8-20/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,32,36)(H2,31,33,34)
MOLECULAR FORMULA
C29H30ClN5O3
CROSS REFERENCES
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TCMDC-138718

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 531.20
AlogP 5.20
HBond donors 3
HBond acceptors 8
Atoms 68
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-138718.