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TCMDC-136241
FEATURES
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NAMES
  • TCMDC-136241
SMILES
COc1ccc2ncc(Cl)c(CCN3C[C@@H](O)[C@@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1.Cl
InChI
InChI=1S/C24H27ClN6O3S.ClH/c1-34-22-5-3-18-23(30-22)16(17(25)10-27-18)6-7-31-11-14(19(32)12-31)8-26-9-15-2-4-20-24(28-15)29-21(33)13-35-20;/h2-5,10,14,19,26,32H,6-9,11-13H2,1H3,(H,28,29,33);1H/t14-,19+;/m0./s1
MOLECULAR FORMULA
C24H28Cl2N6O3S
CROSS REFERENCES
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TCMDC-136241

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 550.13
AlogP 2.78
HBond donors 3
HBond acceptors 9
Atoms 64
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-136241.