General Information of the Compound
| Compound ID |
CP0537536
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(3-hydroxypropyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N5O7
|
||||||||||||||||||
| Molecular Weight |
527.578
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCO)nc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N5O7/c1-2-38-26(37)31-14-12-30(13-15-31)25(36)20(10-11-22(33)34)29-24(35)21-17-19(9-6-16-32)27-23(28-21)18-7-4-3-5-8-18/h3-5,7-8,17,20,32H,2,6,9-16H2,1H3,(H,29,35)(H,33,34)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJGULGLROWXZLI-FQEVSTJZSA-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