General Information of the Compound
| Compound ID |
CP0497000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[[(3R)-3-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-4-(hydroxyamino)-4-oxobutyl]carbamoyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N3O10S
|
||||||||||||||||||
| Molecular Weight |
599.618
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(cc1)C(=O)NCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N3O10S/c1-38-21-8-10-22(11-9-21)42(36,37)31(16-18-3-12-24-25(15-18)41-17-40-24)23(27(33)30-35)13-14-29-26(32)19-4-6-20(7-5-19)28(34)39-2/h3-12,15,23,35H,13-14,16-17H2,1-2H3,(H,29,32)(H,30,33)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMWVDKZJYHLPPS-HSZRJFAPSA-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