TCMDC-138645
FEATURES
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NAMES
  • TCMDC-138645
SMILES
Cl.O=C(NCCCCN1CCC(c2ccc3c(c2O)CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChI
InChI=1S/C33H38ClN3O3.ClH/c34-27-12-7-26(8-13-27)33(40)36-28-14-9-25(10-15-28)32(39)35-19-3-4-20-37-21-17-24(18-22-37)30-16-11-23-5-1-2-6-29(23)31(30)38;/h7-16,24,38H,1-6,17-22H2,(H,35,39)(H,36,40);1H
MOLECULAR FORMULA
C33H39Cl2N3O3
CROSS REFERENCES
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TCMDC-138645
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight595.24
AlogP6.99
HBond donors3
HBond acceptors6
Atoms80
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-138645.