General Information of the Compound
| Compound ID |
CP0458770
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(4-(4-(3-methoxyphenyl)piperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38N4O6S
|
||||||||||||||||||
| Molecular Weight |
606.745
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38N4O6S/c1-23-8-14-28(15-9-23)43(40,41)36-16-4-7-30(36)31(37)33-29(32(38)39)21-24-10-12-25(13-11-24)34-17-19-35(20-18-34)26-5-3-6-27(22-26)42-2/h3,5-6,8-15,22,29-30H,4,7,16-21H2,1-2H3,(H,33,37)(H,38,39)/t29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPQBJCFWZGCTHD-KYJUHHDHSA-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