General Information of the Compound
| Compound ID |
CP0477880
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 2-[4-(8,10-dioxo-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-15-yl)-1,3-thiazol-2-yl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23N3O4S
|
||||||||||||||||||
| Molecular Weight |
473.554
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)Cc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23N3O4S/c1-26(2,3)33-19(30)10-18-27-17(11-34-18)12-7-8-16-15(9-12)20-22-21(24(31)29-25(22)32)13-5-4-6-14(13)23(20)28-16/h7-9,11,28H,4-6,10H2,1-3H3,(H,29,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXXXTYVMXGMMNB-UHFFFAOYSA-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