General Information of the Compound
| Compound ID |
CP0565231
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-(4-methoxyphenyl)tetrazol-1-yl]propyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H60N4O4
|
||||||||||||||||||
| Molecular Weight |
672.955
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nnnn1CCCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H60N4O4/c1-26-16-21-41(36(47)49-25-9-24-45-35(42-43-44-45)28-10-12-29(48-8)13-11-28)23-22-39(6)30(34(41)27(26)2)14-15-32-38(5)19-18-33(46)37(3,4)31(38)17-20-40(32,39)7/h10-14,26-27,31-34,46H,9,15-25H2,1-8H3/t26-,27+,31+,32-,33+,34+,38+,39-,40-,41+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GINPDTPPTWGFDM-IEACWFDUSA-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