General Information of the Compound
| Compound ID |
CP0086496
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-[[3-(2,4-dimethoxyphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]ethyl]-3-methylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H42N6O6S
|
||||||||||||||||||
| Molecular Weight |
650.802
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(OC)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H42N6O6S/c1-36-33(41)37-15-12-22-13-16-39(17-14-22)32(40)29(19-23-6-4-8-25(18-23)31(34)35)38-46(42,43)27-9-5-7-24(20-27)28-11-10-26(44-2)21-30(28)45-3/h4-11,18,20-22,29,38H,12-17,19H2,1-3H3,(H3,34,35)(H2,36,37,41)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJGBKSHYCKEJGU-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