General Information of the Compound
| Compound ID |
CP0424542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[2-phenyl-6-(1H-pyrazol-4-yl)pyrimidine-4-carbonyl]amino]pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N7O6
|
||||||||||||||||||
| Molecular Weight |
535.561
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1cn[nH]c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N7O6/c1-2-39-26(38)33-12-10-32(11-13-33)25(37)19(8-9-22(34)35)31-24(36)21-14-20(18-15-27-28-16-18)29-23(30-21)17-6-4-3-5-7-17/h3-7,14-16,19H,2,8-13H2,1H3,(H,27,28)(H,31,36)(H,34,35)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRCPXGKLJXFYJY-IBGZPJMESA-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