General Information of the Compound
| Compound ID |
CP0907182
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131461874
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N2O4S
|
||||||||||||||||||
| Molecular Weight |
478.614
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N2O4S/c1-18-7-4-5-10-26(18)34(31,32)29-14-13-22-25(17-30)28(2)24-12-11-20(16-23(24)27(22)29)19-8-6-9-21(15-19)33-3/h4-12,15-16,22,25,27,30H,13-14,17H2,1-3H3/t22-,25-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVHWPZSPANPCTM-LNBJVWSJSA-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