General Information of the Compound
| Compound ID |
CP0900435
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87541199
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H54N4O5
|
||||||||||||||||||
| Molecular Weight |
622.851
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H54N4O5/c1-26-22-40(27(2)25-41)35(42)32-21-31(38-36(43)37-30-16-9-6-10-17-30)18-19-33(32)45-28(3)13-11-12-20-44-34(26)24-39(4)23-29-14-7-5-8-15-29/h6,9-10,16-19,21,26-29,34,41H,5,7-8,11-15,20,22-25H2,1-4H3,(H2,37,38,43)/t26-,27+,28-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPYOMULBLKVBBL-JPWDMULGSA-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