General Information of the Compound
Compound ID |
CP0957477
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
SID131438440
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C22H24Cl2FN3O4
|
||||||||||||||||||
Molecular Weight |
484.355
|
||||||||||||||||||
Canonical SMILES |
O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@H]1CO
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C22H24Cl2FN3O4/c23-14-9-13(10-15(24)11-14)21(30)26-8-7-18-5-6-19(20(12-29)32-18)28-22(31)27-17-3-1-16(25)2-4-17/h1-4,9-11,18-20,29H,5-8,12H2,(H,26,30)(H2,27,28,31)/t18-,19+,20+/m1/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
UXPANLXRCNMZBB-AABGKKOBSA-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