General Information of the Compound
| Compound ID |
CP0958632
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-3-oxo-17-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl]-2-[3-(1H-tetrazol-5-yl)anilino]acetate
Show/Hide
|
||||||||||||||||||
| Formula |
C39H57N5O4
|
||||||||||||||||||
| Molecular Weight |
659.916
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)CNc2cccc(-c4nnn[nH]4)c2)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H57N5O4/c1-34(2)16-10-17-39(8,48-34)26-13-19-38(7)32(26)27(47-31(46)23-40-25-12-9-11-24(21-25)33-41-43-44-42-33)22-29-36(5)18-15-30(45)35(3,4)28(36)14-20-37(29,38)6/h9,11-12,21,26-29,32,40H,10,13-20,22-23H2,1-8H3,(H,41,42,43,44)/t26-,27+,28-,29+,32-,36-,37+,38+,39+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJLZXTWHAOFSQG-OUVAQKMOSA-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 | |||||||||||||||||||
| 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