General Information of the Compound
| Compound ID |
CP0431299
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)isoindole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H22N2O3
|
||||||||||||||||||
| Molecular Weight |
458.517
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1-c1ccccc1)c1ccc2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H22N2O3/c33-28(31-26-14-8-7-13-22(26)19-9-3-1-4-10-19)21-15-16-23-25(17-21)30(35)32(29(23)34)27-18-24(27)20-11-5-2-6-12-20/h1-17,24,27H,18H2,(H,31,33)/t24-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRXJEAOFHUPCBR-SQHAQQRYSA-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