General Information of the Compound
| Compound ID |
CP0415303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-hydroxy-6-[(3S,6R,9S,12R)-2,5,8,11-tetraoxo-6,9-dipentyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-3-yl]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H47N5O6
|
||||||||||||||||||
| Molecular Weight |
537.702
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@@H](CCCCC)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-10-7-11-17-23(33)31-38)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-9-6-4-2/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IAXSAHXPKHCCRC-CLAROIROSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT03064, Histone deacetylase 6