General Information of the Compound
| Compound ID |
CP0451321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(2S,5R,8R,12S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H51N7O10
|
||||||||||||||||||
| Molecular Weight |
825.92
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NC1C(NC(=O)C[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H51N7O10/c1-24(52)46-37-39(56)38(55)34(23-51)60-43(37)50-36(54)20-27-19-35(53)48-33(18-28-21-44-31-15-9-8-14-30(28)31)42(59)49-32(17-26-12-6-3-7-13-26)41(58)47-29(22-45-40(27)57)16-25-10-4-2-5-11-25/h2-15,21,27,29,32-34,37-39,43-44,51,55-56H,16-20,22-23H2,1H3,(H,45,57)(H,46,52)(H,47,58)(H,48,53)(H,49,59)(H,50,54)/t27-,29+,32+,33-,34?,37?,38?,39?,43?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZBUIEHDNPTGAM-MQRAHMKUSA-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