General Information of the Compound
| Compound ID |
CP0496560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Methyl-3-phenyl-isoxazole-4-carboxylic acid {3-[benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-3-hydroxycarbamoyl-propyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H30N4O9S
|
||||||||||||||||||
| Molecular Weight |
622.656
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCNC(=O)c1c(C)onc1-c1ccccc1)C(=O)NO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30N4O9S/c1-19-27(28(33-43-19)21-6-4-3-5-7-21)30(36)31-15-14-24(29(35)32-37)34(17-20-8-13-25-26(16-20)42-18-41-25)44(38,39)23-11-9-22(40-2)10-12-23/h3-13,16,24,37H,14-15,17-18H2,1-2H3,(H,31,36)(H,32,35)/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCIIXBZKEIWJLZ-XMMPIXPASA-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