General Information of the Compound
| Compound ID |
CP0950889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[5-(2,8-Dichloro-5H-dibenzo[a,d]cyclohepten-5-yl)-2-oxo-4-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-furan-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H16Cl2N2O4S
|
||||||||||||||||||
| Molecular Weight |
511.386
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1ccc(Cn2cc(C3c4ccc(Cl)cc4C=Cc4cc(Cl)ccc43)c(=S)[nH]c2=O)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H16Cl2N2O4S/c26-15-3-6-18-13(9-15)1-2-14-10-16(27)4-7-19(14)22(18)20-12-29(25(32)28-23(20)34)11-17-5-8-21(33-17)24(30)31/h1-10,12,22H,11H2,(H,30,31)(H,28,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCCILDHQTAHXNC-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