General Information of the Compound
| Compound ID |
CP0490034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N5O7
|
||||||||||||||||||
| Molecular Weight |
541.605
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C(C)(C)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N5O7/c1-4-39-26(38)32-14-12-31(13-15-32)25(37)19(10-11-22(34)35)29-24(36)20-16-21(27(2,3)17-33)30-23(28-20)18-8-6-5-7-9-18/h5-9,16,19,33H,4,10-15,17H2,1-3H3,(H,29,36)(H,34,35)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQNBXVLWMZFXQR-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