General Information of the Compound
| Compound ID |
CP0513396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 179
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30F3N9OS
|
||||||||||||||||||
| Molecular Weight |
573.649
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F3N9OS/c1-17-15-36(12-13-38(17)21(39)16-37-7-3-6-30-37)24-22(33-25(40-24)26(27,28)29)23-31-19-5-4-18(14-20(19)32-23)35-10-8-34(2)9-11-35/h3-7,14,17H,8-13,15-16H2,1-2H3,(H,31,32)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVWKXSFZNTWSCC-QGZVFWFLSA-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