General Information of the Compound
| Compound ID |
CP0427013
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{[1-(ethylsulfonyl)piperidin-4-yl]oxy}-6-phenylpyridin-2-yl)carbonyl]-amino}-5-oxopentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H45N5O9S
|
||||||||||||||||||
| Molecular Weight |
687.816
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CC2)S(=O)(=O)CC)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H45N5O9S/c1-3-5-21-46-33(43)37-19-17-36(18-20-37)32(42)27(11-12-30(39)40)35-31(41)29-23-26(22-28(34-29)24-9-7-6-8-10-24)47-25-13-15-38(16-14-25)48(44,45)4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,35,41)(H,39,40)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIFSYWSFYZAHDN-MHZLTWQESA-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