General Information of the Compound
| Compound ID |
CP0514381
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-((1-methylpiperidin-4-yl)methoxy)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N6O7
|
||||||||||||||||||
| Molecular Weight |
624.739
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(C)CC2)nc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N6O7/c1-3-4-20-44-32(43)38-18-16-37(17-19-38)31(42)25(10-11-28(39)40)34-30(41)26-21-27(45-22-23-12-14-36(2)15-13-23)35-29(33-26)24-8-6-5-7-9-24/h5-9,21,23,25H,3-4,10-20,22H2,1-2H3,(H,34,41)(H,39,40)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSDDUUCENSVBLS-VWLOTQADSA-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