General Information of the Compound
| Compound ID |
CP0931255
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[(2S)-1-[(2S)-2-[5-[13-[2-[(2S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H50N8O9
|
||||||||||||||||||
| Molecular Weight |
810.909
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]5)cc(c2-4)OC3)[nH]1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H50N8O9/c1-21(2)35(47-41(53)56-5)39(51)49-11-7-9-29(49)37-43-17-27(45-37)23-13-25-19-59-32-16-24(14-26-20-58-31(15-23)33(25)34(26)32)28-18-44-38(46-28)30-10-8-12-50(30)40(52)36(22(3)55-4)48-42(54)57-6/h13-18,21-22,29-30,35-36H,7-12,19-20H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t22-,29+,30+,35+,36+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WZEUKUCQPGSKAK-HDGYKJARSA-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