General Information of the Compound
| Compound ID |
CP0522056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[4-(methylamino)piperidin-1-yl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N6O6
|
||||||||||||||||||
| Molecular Weight |
608.74
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)NC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N6O6/c1-3-4-20-44-32(43)38-18-16-37(17-19-38)31(42)26(10-11-29(39)40)35-30(41)28-22-25(36-14-12-24(33-2)13-15-36)21-27(34-28)23-8-6-5-7-9-23/h5-9,21-22,24,26,33H,3-4,10-20H2,1-2H3,(H,35,41)(H,39,40)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONQHMEYJZIJCNS-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