General Information of the Compound
| Compound ID |
CP0514383
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(2-phenyl-6-(piperidin-4-ylmethoxy)pyrimidine-4-carboxamido)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42N6O7
|
||||||||||||||||||
| Molecular Weight |
610.712
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCNCC2)nc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42N6O7/c1-2-3-19-43-31(42)37-17-15-36(16-18-37)30(41)24(9-10-27(38)39)34-29(40)25-20-26(44-21-22-11-13-32-14-12-22)35-28(33-25)23-7-5-4-6-8-23/h4-8,20,22,24,32H,2-3,9-19,21H2,1H3,(H,34,40)(H,38,39)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQUMWDFIPZDIAZ-DEOSSOPVSA-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