General Information of the Compound
| Compound ID |
CP0201431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(1-aminoethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H44F2N4O4
|
||||||||||||||||||
| Molecular Weight |
610.746
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H44F2N4O4/c1-5-10-40(11-6-2)34(43)27-17-25(22(3)37)16-26(18-27)33(42)39-31(15-24-12-28(35)19-29(36)13-24)32(41)21-38-20-23-8-7-9-30(14-23)44-4/h7-9,12-14,16-19,22,31-32,38,41H,5-6,10-11,15,20-21,37H2,1-4H3,(H,39,42)/t22?,31-,32+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HENCXFZEUKJRBP-SLXSLGHESA-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