General Information of the Compound
| Compound ID |
CP0862515
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-{2-[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)-thiazol-4-yl]-acetylamino}-succinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H31N5O8S2
|
||||||||||||||||||
| Molecular Weight |
725.805
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)Nc3nc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cs3)o2)c(=O)[nH]c1=S
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H31N5O8S2/c1-18-3-8-24-20(11-18)5-6-21-12-19(2)4-9-25(21)31(24)26-16-41(36(48)40-33(26)50)15-23-7-10-28(49-23)32(45)39-35-37-22(17-51-35)13-29(42)38-27(34(46)47)14-30(43)44/h3-12,16-17,27,31H,13-15H2,1-2H3,(H,38,42)(H,43,44)(H,46,47)(H,37,39,45)(H,40,48,50)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMLJUNSCEWPOJD-MHZLTWQESA-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