General Information of the Compound
| Compound ID |
CP0317035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(3-mesitylureido)-2-naphthamido)-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N3O6
|
||||||||||||||||||
| Molecular Weight |
545.636
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC3(CC2)OCCO3)C(O)=O)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N3O6/c1-18-14-19(2)26(20(3)15-18)34-30(38)32-25-17-23-7-5-4-6-22(23)16-24(25)28(35)33-27(29(36)37)21-8-10-31(11-9-21)39-12-13-40-31/h4-7,14-17,21,27H,8-13H2,1-3H3,(H,33,35)(H,36,37)(H2,32,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXLOSBDARKDVEX-UHFFFAOYSA-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