General Information of the Compound
| Compound ID |
CP0275471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39F2N3O4
|
||||||||||||||||||
| Molecular Weight |
567.677
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39F2N3O4/c1-4-12-37(13-5-2)32(40)25-10-7-9-24(18-25)31(39)36-29(17-23-14-26(33)19-27(34)15-23)30(38)21-35-20-22-8-6-11-28(16-22)41-3/h6-11,14-16,18-19,29-30,35,38H,4-5,12-13,17,20-21H2,1-3H3,(H,36,39)/t29-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDTKXRCFWVLUOJ-XZWHSSHBSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound