General Information of the Compound
| Compound ID |
CP0174302
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]-N-methylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37Cl2N5O4S
|
||||||||||||||||||
| Molecular Weight |
658.652
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37Cl2N5O4S/c1-37-30(40)10-3-5-21-13-15-39(16-14-21)32(41)29(18-22-6-2-8-24(17-22)31(35)36)38-44(42,43)26-9-4-7-23(19-26)27-12-11-25(33)20-28(27)34/h2,4,6-9,11-12,17,19-21,29,38H,3,5,10,13-16,18H2,1H3,(H3,35,36)(H,37,40)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXXLERYKAMCOQH-LJAQVGFWSA-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