TCMDC-139064
FEATURES
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NAMES
  • TCMDC-139064
SMILES
O=C(NCCCCN1CCC(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1)c1ccc(-c2ccccc2)cc1.O=C(O)C(=O)O
InChI
InChI=1S/C36H37N3O.C2H2O4/c40-36(31-15-13-29(14-16-31)27-9-3-1-4-10-27)37-21-7-8-22-39-23-19-30(20-24-39)34-26-38-35-18-17-32(25-33(34)35)28-11-5-2-6-12-28;3-1(4)2(5)6/h1-6,9-18,25-26,30,38H,7-8,19-24H2,(H,37,40);(H,3,4)(H,5,6)
MOLECULAR FORMULA
C38H39N3O5
CROSS REFERENCES
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TCMDC-139064
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight617.29
AlogP7.05
HBond donors4
HBond acceptors8
Atoms85
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-139064.