General Information of the Compound
| Compound ID |
CP0579909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11136312, Compound SM-I-60
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26Cl2N6
|
||||||||||||||||||
| Molecular Weight |
493.442
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26Cl2N6/c1-33-16-19(21-6-2-3-7-24(21)33)9-11-25-31-32-26(14-18-8-10-22(27)23(28)13-18)34(25)12-4-5-20-15-29-17-30-20/h2-3,6-8,10,13,15-17H,4-5,9,11-12,14H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAVOYAUVXMOTJN-UHFFFAOYSA-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 | |||||||||||||||||||
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