General Information of the Compound
| Compound ID |
CP0548190
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,11S,14S,22S)-6,8,9,17,19,20-hexamethoxy-7,18-dimethyl-11,22-bis[(E)-2-phenylethenyl]-1,12-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5(10),6,8,16(21),17,19-hexaene-2,13-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H46N2O8
|
||||||||||||||||||
| Molecular Weight |
730.858
|
||||||||||||||||||
| Canonical SMILES |
COc1c(C)c(OC)c(OC)c2[C@H](\C=C\c3ccccc3)N3[C@@H](Cc12)C(=O)N1[C@@H](Cc2c(OC)c(C)c(OC)c(OC)c2[C@@H]1\C=C\c1ccccc1)C3=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H46N2O8/c1-25-37(49-3)29-23-33-43(47)46-32(22-20-28-17-13-10-14-18-28)36-30(38(50-4)26(2)40(52-6)42(36)54-8)24-34(46)44(48)45(33)31(21-19-27-15-11-9-12-16-27)35(29)41(53-7)39(25)51-5/h9-22,31-34H,23-24H2,1-8H3/b21-19+,22-20+/t31-,32-,33-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFHYDEQIHIJWHG-FBIVQPQBSA-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