General Information of the Compound
| Compound ID |
CP0387727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[4-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl]triazol-1-yl]-N-hydroxyheptanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36N6O7
|
||||||||||||||||||
| Molecular Weight |
616.675
|
||||||||||||||||||
| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OCc3cn(CCCCCCC(=O)NO)nn3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36N6O7/c1-3-21-22-13-20(44-17-19-15-37(36-34-19)12-8-6-5-7-9-28(39)35-43)10-11-26(22)33-29-23(21)16-38-27(29)14-25-24(30(38)40)18-45-31(41)32(25,42)4-2/h10-11,13-15,42-43H,3-9,12,16-18H2,1-2H3,(H,35,39)/t32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZVAVGPGKWOHGK-YTTGMZPUSA-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: PT01213, Histone deacetylase 6