General Information of the Compound
| Compound ID |
CP0333775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-4-(2-methylpropyl)-3-oxopiperazin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44F2N4O4
|
||||||||||||||||||
| Molecular Weight |
586.724
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC(C)C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44F2N4O4/c1-6-9-37(10-7-2)31(41)24-13-21(5)12-23(17-24)30(40)36-27(16-22-14-25(33)18-26(34)15-22)29(39)28-32(42)38(11-8-35-28)19-20(3)4/h12-15,17-18,20,27-29,35,39H,6-11,16,19H2,1-5H3,(H,36,40)/t27-,28-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFNFQRPIVDERMP-AWCRTANDSA-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