General Information of the Compound
| Compound ID |
CP0573129
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-23-(azetidin-1-yl)-11-fluoro-20-methyl-15-oxa-7,20,24,26,27-pentazapentacyclo[23.2.1.02,7.09,14.021,26]octacosa-1(27),9(14),10,12,21,23,25(28)-heptaen-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31FN6O2
|
||||||||||||||||||
| Molecular Weight |
478.572
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31FN6O2/c1-30-10-4-5-14-35-22-9-8-18(27)15-19(22)26(34)32-13-3-2-7-21(32)20-16-24-28-23(31-11-6-12-31)17-25(30)33(24)29-20/h8-9,15-17,21H,2-7,10-14H2,1H3/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHQSGZLERONLEJ-NRFANRHFSA-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