General Information of the Compound
| Compound ID |
CP0527048
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ML10302 scaffold, 19
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H39ClN4O4
|
||||||||||||||||||
| Molecular Weight |
531.097
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H39ClN4O4/c1-36-26-20-25(30)24(29)19-23(26)28(35)37-18-17-33-15-11-22(12-16-33)32-27(34)10-6-14-31-13-5-9-21-7-3-2-4-8-21/h2-4,7-8,19-20,22,31H,5-6,9-18,30H2,1H3,(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYEILUFTEVTKGP-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