General Information of the Compound
| Compound ID |
CP0865183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[800CW]Adam GPI Monomer
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C81H104N5Na4O26PS4
|
||||||||||||||||||
| Molecular Weight |
1814.934
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C(/C=C/C2=C(Oc3ccc(S(=O)(=O)[O-])cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CCC2)=[N+](CCCCCC(=O)NCCCCCC(=O)NC23CC4(CCC=O)CC(CCC=O)(CC(CCC(=O)N[C@@H](CCP(=O)(O)CC(CCC(=O)[O-])C(=O)O)C(=O)O)(C4)C2)C3)c2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+].[Na+].[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C81H108N5O26PS4.4Na/c1-76(2)62-46-60(116(106,107)108)27-29-65(62)85(67(76)31-20-55-16-13-17-56(73(55)112-58-23-25-59(26-24-58)115(103,104)105)21-32-68-77(3,4)63-47-61(117(109,110)111)28-30-66(63)86(68)41-11-12-45-114(100,101)102)40-10-6-8-18-69(89)82-39-9-5-7-19-71(91)84-81-52-78(36-14-42-87)49-79(53-81,37-15-43-88)51-80(50-78,54-81)38-34-70(90)83-64(75(96)97)35-44-113(98,99)48-57(74(94)95)22-33-72(92)93;;;;/h20-21,23-32,42-43,46-47,57,64H,5-19,22,33-41,44-45,48-54H2,1-4H3,(H10-,82,83,84,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111);;;;/q;4*+1/p-4/t57?,64-,78?,79?,80?,81?;;;;/m0..../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEGCHBYDTAPSAE-SZOGVEBJSA-J
|
||||||||||||||||||
| 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