General Information of the Compound
| Compound ID |
CP0541361
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)4-{[(4-{[(4-Methylpiperazin-1-yl)acetyl]amino}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H53N7O7
|
||||||||||||||||||
| Molecular Weight |
707.873
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)N2CCN(C)CC2)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H53N7O7/c1-6-7-11-24-50-36(49)44-22-20-42(21-23-44)34(47)29(14-15-32(45)51-37(2,3)4)40-33(46)31-26-28(25-30(39-31)27-12-9-8-10-13-27)38-35(48)43-18-16-41(5)17-19-43/h8-10,12-13,25-26,29H,6-7,11,14-24H2,1-5H3,(H,40,46)(H,38,39,48)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
STHDAVOVOCUJEN-LJAQVGFWSA-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