General Information of the Compound
| Compound ID |
CP0389077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,18-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H52N4O9S
|
||||||||||||||||||
| Molecular Weight |
752.931
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ccc3cc2cc1CCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H52N4O9S/c1-7-27-21-39(27,35(46)42-53(48,49)29-15-16-29)41-33(44)30-22-38(51-6)23-43(30)34(45)32(37(2,3)4)40-36(47)52-17-11-9-8-10-12-25-18-26-19-28(38)14-13-24(26)20-31(25)50-5/h7,13-14,18-20,27,29-30,32H,1,8-12,15-17,21-23H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t27-,30+,32-,38+,39-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJOAWAMPIOSLEV-FRUOCRLFSA-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