General Information of the Compound
| Compound ID |
CP0893384
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87336891
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H47ClN4O6
|
||||||||||||||||||
| Molecular Weight |
691.269
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(CCC4CCCC4)c4[nH]c5ccc(Cl)cc5c4CCN3C2=O)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H47ClN4O6/c1-47-32-10-7-25(19-33(32)48-2)23-40-34(44)21-26-20-30(37(46)42-15-17-49-18-16-42)38(13-11-24-5-3-4-6-24)35-28(12-14-43(38)36(26)45)29-22-27(39)8-9-31(29)41-35/h7-10,19,22,24,26,30,41H,3-6,11-18,20-21,23H2,1-2H3,(H,40,44)/t26-,30-,38+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUVAKKWOACBDNT-UBPSGZLKSA-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