General Information of the Compound
| Compound ID |
CP0940409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87541135
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H47Cl2N3O5
|
||||||||||||||||||
| Molecular Weight |
684.705
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H47Cl2N3O5/c1-25-21-42(26(2)24-43)37(45)31-20-30(40-36(44)19-28-11-6-5-7-12-28)14-16-34(31)47-27(3)10-8-9-17-46-35(25)23-41(4)22-29-13-15-32(38)33(39)18-29/h5-7,11-16,18,20,25-27,35,43H,8-10,17,19,21-24H2,1-4H3,(H,40,44)/t25-,26+,27-,35+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWTHGLUFUCUWTA-RLJUXYCZSA-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