General Information of the Compound
| Compound ID |
CP0534940
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{4-[(1R)-1-[(4-chloro-1,6-dimethyl-1H-indol-2- yl)formamido]ethyl]benzenesulfonyl}oxane-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27ClN2O6S
|
||||||||||||||||||
| Molecular Weight |
519.019
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27ClN2O6S/c1-15-12-20(26)19-14-22(28(3)21(19)13-15)23(29)27-16(2)17-4-6-18(7-5-17)35(32,33)25(24(30)31)8-10-34-11-9-25/h4-7,12-14,16H,8-11H2,1-3H3,(H,27,29)(H,30,31)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRMVQVYPBKOMJH-MRXNPFEDSA-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