General Information of the Compound
| Compound ID |
CP0346548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-((R)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazin-1-ylsulfonyl)phenyl)pyrrolidine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F4N3O4S
|
||||||||||||||||||
| Molecular Weight |
515.529
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCCC1C(O)=O)c1ccc(F)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F4N3O4S/c1-15-14-28(20-8-7-16(24)12-19(20)23(25,26)27)10-11-30(15)35(33,34)18-5-2-4-17(13-18)29-9-3-6-21(29)22(31)32/h2,4-5,7-8,12-13,15,21H,3,6,9-11,14H2,1H3,(H,31,32)/t15-,21?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
POEXHXPXERGIJJ-RBFZIWAESA-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