General Information of the Compound
| Compound ID |
CP0860507
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID144195157
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N3O3
|
||||||||||||||||||
| Molecular Weight |
449.595
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@@H](CO)N3C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N3O3/c1-29-24-12-11-19(18-7-6-10-21(15-18)33-2)16-23(24)26-22(25(29)17-31)13-14-30(26)27(32)28-20-8-4-3-5-9-20/h6-7,10-12,15-16,20,22,25-26,31H,3-5,8-9,13-14,17H2,1-2H3,(H,28,32)/t22-,25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXKYDAPAVVDVMX-DNRSQYFGSA-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