General Information of the Compound
| Compound ID |
CP0336629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-pyrrolidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37F2N3O3
|
||||||||||||||||||
| Molecular Weight |
501.618
|
||||||||||||||||||
| 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]1CCCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37F2N3O3/c1-4-9-33(10-5-2)28(36)21-12-18(3)11-20(16-21)27(35)32-25(26(34)24-7-6-8-31-24)15-19-13-22(29)17-23(30)14-19/h11-14,16-17,24-26,31,34H,4-10,15H2,1-3H3,(H,32,35)/t24-,25+,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOXKSOYSLISNQZ-UODIDJSMSA-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