Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BS31XL
|
|||
| Binder Name |
Merck-22-6
|
|||
| Synonyms |
CHEMBL258696; SCHEMBL5310814; CTK5B2993; DTXSID50437084; SYN1118; C40H43N7O2; BDBM50373459; ZINC29049547; NCGC00345840-01; NCGC00345840-02
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C40H43N7O2
|
|||
| Canonical SMILES |
CCN(CC)CCNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=C(C=C3)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O)C7=CC=CC=C7
|
|||
| InChI |
1S/C40H43N7O2/c1-3-45(4-2)25-22-41-39(48)31-18-19-33-35(26-31)43-38(37(42-33)29-10-6-5-7-11-29)30-16-14-28(15-17-30)27-46-23-20-32(21-24-46)47-36-13-9-8-12-34(36)44-40(47)49/h5-19,26,32H,3-4,20-25,27H2,1-2H3,(H,41,48)(H,44,49)
|
|||
| InChIKey |
HBCHTLGWXPVWDF-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.