General Information of the Compound
| Compound ID |
CP0903480
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-({5-[5-(2,8-Dimethyl-5H-dibenzo[a,d]cyclohepten-5-yl)-2-oxo-4-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-furan-2-carbonyl}-amino)-succinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27N3O7S
|
||||||||||||||||||
| Molecular Weight |
585.638
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)c(=O)[nH]c1=S
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27N3O7S/c1-16-3-8-21-18(11-16)5-6-19-12-17(2)4-9-22(19)27(21)23-15-34(31(40)33-29(23)42)14-20-7-10-25(41-20)28(37)32-24(30(38)39)13-26(35)36/h3-12,15,24,27H,13-14H2,1-2H3,(H,32,37)(H,35,36)(H,38,39)(H,33,40,42)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPMKFPCUUKZZNS-DEOSSOPVSA-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