General Information of the Compound
| Compound ID |
CP0942385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4S)-5-(benzo[d][1,3]dioxole-5-sulfonamido)-2-benzyl-4-hydroxy-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N2O7S
|
||||||||||||||||||
| Molecular Weight |
538.622
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N2O7S/c31-21(16-29-38(34,35)22-10-11-25-26(15-22)37-17-36-25)13-20(12-18-6-2-1-3-7-18)28(33)30-27-23-9-5-4-8-19(23)14-24(27)32/h1-11,15,20-21,24,27,29,31-32H,12-14,16-17H2,(H,30,33)/t20-,21+,24-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHNJGKOVXCYQPW-CFQDUWEQSA-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