General Information of the Compound
| Compound ID |
CP0372049
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(4-(4-(diethylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-(4-(hexyloxycarbonyl)piperazin-1-yl)-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H54N6O7
|
||||||||||||||||||
| Molecular Weight |
706.885
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H54N6O7/c1-4-7-8-12-25-51-38(50)44-23-21-43(22-24-44)37(49)31(15-16-34(45)46)40-35(47)33-27-30(26-32(39-33)28-13-10-9-11-14-28)42-19-17-29(18-20-42)36(48)41(5-2)6-3/h9-11,13-14,26-27,29,31H,4-8,12,15-25H2,1-3H3,(H,40,47)(H,45,46)/t31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PERRQLWKIDIDAR-HKBQPEDESA-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