General Information of the Compound
| Compound ID |
CP0383881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(2-methoxyethyl)methyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H41N5O7
|
||||||||||||||||||
| Molecular Weight |
583.686
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(C)CCOC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41N5O7/c1-4-5-18-42-30(40)35-15-13-34(14-16-35)29(39)24(11-12-27(36)37)32-28(38)26-21-23(33(2)17-19-41-3)20-25(31-26)22-9-7-6-8-10-22/h6-10,20-21,24H,4-5,11-19H2,1-3H3,(H,32,38)(H,36,37)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHLKESIAKMBCBI-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