General Information of the Compound
| Compound ID |
CP0514633
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 221
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29F3N8OS
|
||||||||||||||||||
| Molecular Weight |
558.634
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cc(cn1)C1CCNCC1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29F3N8OS/c1-16-13-35(10-11-37(16)21(38)15-36-14-18(12-31-36)17-6-8-30-9-7-17)24-22(34-25(39-24)26(27,28)29)23-32-19-4-2-3-5-20(19)33-23/h2-5,12,14,16-17,30H,6-11,13,15H2,1H3,(H,32,33)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYPWJHIWXFTEPD-MRXNPFEDSA-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