General Information of the Compound
| Compound ID |
CP0045084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8957093, 107
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H30N2O3
|
||||||||||||||||||
| Molecular Weight |
502.614
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H30N2O3/c1-21-8-4-5-9-27(21)19-34-32(36)26-16-17-31-30(18-26)22(2)23(3)35(31)20-24-12-14-25(15-13-24)28-10-6-7-11-29(28)33(37)38/h4-18H,19-20H2,1-3H3,(H,34,36)(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZYMZXRTCQCPCR-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