General Information of the Compound
| Compound ID |
CP0050859
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-N-[(1R,2S)-1-[(2R,4S)-4-cyclohexylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H49F2N3O3
|
||||||||||||||||||
| Molecular Weight |
597.791
|
||||||||||||||||||
| 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]1C[C@H](CCN1)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H49F2N3O3/c1-4-13-40(14-5-2)35(43)28-16-23(3)15-27(20-28)34(42)39-32(19-24-17-29(36)22-30(37)18-24)33(41)31-21-26(11-12-38-31)25-9-7-6-8-10-25/h15-18,20,22,25-26,31-33,38,41H,4-14,19,21H2,1-3H3,(H,39,42)/t26-,31+,32-,33+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPZJATXZBWZOFX-NEVPTIFISA-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