General Information of the Compound
| Compound ID |
CP0392167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(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] 4-[11-(hydroxyamino)-11-oxoundecanoyl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H47N5O9
|
||||||||||||||||||
| Molecular Weight |
717.82
|
||||||||||||||||||
| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCCCCCC(=O)NO)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H47N5O9/c1-3-25-26-20-24(52-37(48)42-18-16-41(17-19-42)33(45)13-11-9-7-5-6-8-10-12-32(44)40-50)14-15-30(26)39-34-27(25)22-43-31(34)21-29-28(35(43)46)23-51-36(47)38(29,49)4-2/h14-15,20-21,49-50H,3-13,16-19,22-23H2,1-2H3,(H,40,44)/t38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUPCVYHSLZBNIZ-LHEWISCISA-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6