General Information of the Compound
| Compound ID |
CP0428817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 187
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26F3N7O2
|
||||||||||||||||||
| Molecular Weight |
549.557
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26F3N7O2/c1-15-12-16(27(40)35-21-13-18(8-9-33-21)28(29,30)31)3-6-20(15)23-24-25(32)34-10-11-37(24)26(36-23)17-2-4-19-5-7-22(39)38(19)14-17/h3,6,8-13,17,19H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t17-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTIOIKDVVMTHNY-MJGOQNOKSA-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