General Information of the Compound
| Compound ID |
CP0404425
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8957093, 94
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H29N3O3
|
||||||||||||||||||
| Molecular Weight |
503.602
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H29N3O3/c1-20-21(2)35(19-22-11-13-23(14-12-22)26-8-4-5-9-27(26)32(37)38)30-16-15-24(17-28(20)30)31(36)34-18-25-7-3-6-10-29(25)33/h3-17H,18-19,33H2,1-2H3,(H,34,36)(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSTBIOVZRVCVDJ-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