General Information of the Compound
| Compound ID |
CP0826797
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID26732536
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H49N5O8
|
||||||||||||||||||
| Molecular Weight |
643.782
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H49N5O8/c1-31(2,3)44-28(41)22(17-13-14-18-34-30(43)46-33(7,8)9)37-26(39)24-25(36-20-35-24)27(40)38-23(29(42)45-32(4,5)6)19-21-15-11-10-12-16-21/h10-12,15-16,20,22-23H,13-14,17-19H2,1-9H3,(H,34,43)(H,35,36)(H,37,39)(H,38,40)/t22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYQNHTKIMUNBEK-GOTSBHOMSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8