General Information of the Compound
| Compound ID |
CP0532618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-4-(4-(3-(acetamidomethyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H48N6O7
|
||||||||||||||||||
| Molecular Weight |
664.804
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCCC(CNC(C)=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H48N6O7/c1-3-4-8-20-48-35(47)40-18-16-39(17-19-40)34(46)29(13-14-32(43)44)38-33(45)31-22-28(21-30(37-31)27-11-6-5-7-12-27)41-15-9-10-26(24-41)23-36-25(2)42/h5-7,11-12,21-22,26,29H,3-4,8-10,13-20,23-24H2,1-2H3,(H,36,42)(H,38,45)(H,43,44)/t26?,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIIZJKJJWKJGJY-BTMGADRYSA-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