General Information of the Compound
| Compound ID |
CP0499359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-{4-[(Butylamino)carbonyl]piperazin-1-yl}-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H41N5O5
|
||||||||||||||||||
| Molecular Weight |
551.688
|
||||||||||||||||||
| Canonical SMILES |
CCCCNC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41N5O5/c1-5-6-17-31-29(39)35-20-18-34(19-21-35)28(38)25(15-16-26(36)40-30(2,3)4)33-27(37)24-14-10-13-23(32-24)22-11-8-7-9-12-22/h7-14,25H,5-6,15-21H2,1-4H3,(H,31,39)(H,33,37)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMSVGLUBQWUBAO-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