General Information of the Compound
| Compound ID |
CP0569157
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(cyclohexylamino)-3-[(4-methylphenyl)carbamoylamino]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N3O3
|
||||||||||||||||||
| Molecular Weight |
443.547
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)Nc2cc(ccc2NC2CCCCC2)-c2ccccc2C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N3O3/c1-18-11-14-21(15-12-18)29-27(33)30-25-17-19(22-9-5-6-10-23(22)26(31)32)13-16-24(25)28-20-7-3-2-4-8-20/h5-6,9-17,20,28H,2-4,7-8H2,1H3,(H,31,32)(H2,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIAPSPYVIRZMQN-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