General Information of the Compound
| Compound ID |
CP0522062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-{[(6-phenyl-4-{[1-(trifluoroacetyl)iperidin-4-yl]oxy}pyridin-2-yl)carbonyl]amino}pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H42F3N5O8
|
||||||||||||||||||
| Molecular Weight |
705.731
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CC2)C(=O)C(F)(F)F)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H42F3N5O8/c1-2-3-7-20-49-33(48)42-18-16-40(17-19-42)31(46)26(10-11-29(43)44)39-30(45)28-22-25(21-27(38-28)23-8-5-4-6-9-23)50-24-12-14-41(15-13-24)32(47)34(35,36)37/h4-6,8-9,21-22,24,26H,2-3,7,10-20H2,1H3,(H,39,45)(H,43,44)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKCCOLCEJXMQII-SANMLTNESA-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