General Information of the Compound
| Compound ID |
CP0272619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-1lambda*6*-thia-2-aza-anthracene-3-carboxylic acid {(S)-1-benzyl-2-[3-(4-nitro-benzenesulfonylamino)-propylcarbamoyl]-2-oxo-ethyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H35N5O11S2
|
||||||||||||||||||
| Molecular Weight |
729.79
|
||||||||||||||||||
| Canonical SMILES |
CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H35N5O11S2/c1-2-36-26(18-22-19-27-28(48-16-15-47-27)20-29(22)50(36,45)46)31(39)35-25(17-21-7-4-3-5-8-21)30(38)32(40)33-13-6-14-34-49(43,44)24-11-9-23(10-12-24)37(41)42/h3-5,7-12,19-20,25-26,34H,2,6,13-18H2,1H3,(H,33,40)(H,35,39)/t25-,26?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDRPNNIYQDBGCD-PMCHYTPCSA-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