General Information of the Compound
| Compound ID |
CP0508103
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[({7-[3-(7-{[(3-Carboxy-4-chlorophenyl)amino]sulfonyl}(2-naphthyl))-2-oxoimidazolidinyl](2-naphthyl)}sulfonyl)amino]-2-chlorobenzoicAcid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H26Cl2N4O9S2
|
||||||||||||||||||
| Molecular Weight |
805.674
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(cc3c2)N2CCN(C2=O)c2ccc3ccc(cc3c2)S(=O)(=O)Nc2ccc(Cl)c(c2)C(O)=O)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H26Cl2N4O9S2/c38-33-11-5-25(19-31(33)35(44)45)40-53(49,50)29-9-3-21-1-7-27(15-23(21)17-29)42-13-14-43(37(42)48)28-8-2-22-4-10-30(18-24(22)16-28)54(51,52)41-26-6-12-34(39)32(20-26)36(46)47/h1-12,15-20,40-41H,13-14H2,(H,44,45)(H,46,47)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNWOCDXBUISIGV-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