General Information of the Compound
| Compound ID |
CP0064676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(6-(4-(aminomethyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H45N7O6
|
||||||||||||||||||
| Molecular Weight |
623.755
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H45N7O6/c1-2-3-7-20-45-32(44)39-18-16-38(17-19-39)31(43)25(10-11-28(40)41)35-30(42)26-21-27(37-14-12-23(22-33)13-15-37)36-29(34-26)24-8-5-4-6-9-24/h4-6,8-9,21,23,25H,2-3,7,10-20,22,33H2,1H3,(H,35,42)(H,40,41)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWSCCUYVOQHUIB-VWLOTQADSA-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