General Information of the Compound
| Compound ID |
CP0564307
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-4-[(1S,2R,13S,14S,17R,18R)-2,6,9,9,18-pentamethyl-7-thia-5-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H41NO2S
|
||||||||||||||||||
| Molecular Weight |
455.708
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5sc(C)nc5C[C@]4(C)[C@H]3CC[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H41NO2S/c1-16(7-12-24(30)31)19-9-10-20-18-8-11-23-26(3,4)25-22(29-17(2)32-25)15-28(23,6)21(18)13-14-27(19,20)5/h11,16,18-21H,7-10,12-15H2,1-6H3,(H,30,31)/t16-,18+,19-,20+,21+,27-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOXOVBHWUHUTBM-DOTGSZBPSA-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 | |||||||||||||||||||
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