General Information of the Compound
| Compound ID |
CP0438999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,5R,6S,7S,8R,9S,11R,13R,14R)-15-[2-(4-chlorophenyl)ethyl]-8-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H75ClN2O13
|
||||||||||||||||||
| Molecular Weight |
911.571
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H75ClN2O13/c1-15-34-47(10)39(50(44(55)63-47)21-20-31-16-18-32(48)19-17-31)27(4)36(51)25(2)23-46(9,57-14)41(62-43-37(52)33(49(11)12)22-26(3)58-43)28(5)38(29(6)42(54)60-34)61-35-24-45(8,56-13)40(53)30(7)59-35/h16-19,25-30,33-35,37-41,43,52-53H,15,20-24H2,1-14H3/t25-,26-,27+,28+,29-,30+,33+,34-,35?,37-,38+,39-,40+,41-,43?,45-,46+,47-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEYLHWRHNHTFGI-IRTDLJHBSA-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