General Information of the Compound
| Compound ID |
CP0550705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,9S,12S,15S,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-30-(1,1-dioxothiazetidin-2-yl)-1,18-dihydroxy-19-methoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,20-tetrone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C53H82N6O12S
|
||||||||||||||||||
| Molecular Weight |
1027.336
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\C(C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)N2CCS2(=O)=O)CC[C@@H]1n1cnnn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C53H82N6O12S/c1-33-15-11-10-12-16-35(3)44(59-25-26-72(59,66)67)31-41-21-19-39(7)53(65,71-41)50(62)51(63)57-24-14-13-17-43(57)52(64)70-45(23-18-34(2)28-38(6)48(61)49(69-9)47(60)37(5)27-33)36(4)29-40-20-22-42(46(30-40)68-8)58-32-54-55-56-58/h10-12,15-16,28,32-34,36-37,39-46,48-49,61,65H,13-14,17-27,29-31H2,1-9H3/b12-10+,15-11+,35-16+,38-28+/t33-,34+,36-,37-,39-,40+,41+,42+,43+,44?,45+,46-,48-,49+,53-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBTZYNUKNSOPFP-WUBATQDOSA-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