General Information of the Compound
| Compound ID |
CP0431499
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)4-[({4-[4-(Aminomethyl)piperidin-1-yl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoicAcid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40N6O6
|
||||||||||||||||||
| Molecular Weight |
580.686
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40N6O6/c1-2-42-30(41)36-16-14-35(15-17-36)29(40)24(8-9-27(37)38)33-28(39)26-19-23(34-12-10-21(20-31)11-13-34)18-25(32-26)22-6-4-3-5-7-22/h3-7,18-19,21,24H,2,8-17,20,31H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWOQQDMFPFLNQZ-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