General Information of the Compound
| Compound ID |
CP0371894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(2-methoxyethyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoicAcid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N5O7
|
||||||||||||||||||
| Molecular Weight |
569.659
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCOC)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N5O7/c1-3-4-17-41-29(39)34-15-13-33(14-16-34)28(38)23(10-11-26(35)36)32-27(37)25-20-22(30-12-18-40-2)19-24(31-25)21-8-6-5-7-9-21/h5-9,19-20,23H,3-4,10-18H2,1-2H3,(H,30,31)(H,32,37)(H,35,36)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKLOXXYNSRILFT-QHCPKHFHSA-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