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TCMDC-139671
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NAMES
  • TCMDC-139671
SMILES
Cl.N#Cc1ccc2c(c1)CCN(CCC1CCC(NC(=O)/C=C/c3cccc4cc[nH]c34)CC1)CC2
InChI
InChI=1S/C30H34N4O.ClH/c31-21-23-4-7-24-14-18-34(19-15-27(24)20-23)17-13-22-5-9-28(10-6-22)33-29(35)11-8-25-2-1-3-26-12-16-32-30(25)26;/h1-4,7-8,11-12,16,20,22,28,32H,5-6,9-10,13-15,17-19H2,(H,33,35);1H/b11-8+;
MOLECULAR FORMULA
C30H35ClN4O
CROSS REFERENCES
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TCMDC-139671

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 502.25
AlogP 5.64
HBond donors 2
HBond acceptors 5
Atoms 71
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-139671.