General Information of the Compound
| Compound ID |
CP0037081
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| Compound Name |
PF-514273
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| Synonyms |
2-(2-CHLOROPHENYL)-3-(4-CHLOROPHENYL)-7-(2,2-DIFLUOROPROPYL)-6,7-DIHYDRO-2H-PYRAZOLO[3,4-F][1,4]OXAZEPIN-8(5H)-ONE
AKOS024457743
API0006251
BDBM29075
CHEMBL484929
DTXSID80462142
FJMQJSUOOGOWBD-UHFFFAOYSA-N
FT-0673651
MolPort-023-276-895
NCGC00370822-01
PF 514273
PF-0514273
PF-514273
PF-514273, >
SCHEMBL1315434
ZINC40939374
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| Structure |
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| Formula |
C21H17Cl2F2N3O2
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| Molecular Weight |
452.288
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| Canonical SMILES |
CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
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| InChI |
InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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| InChIKey |
FJMQJSUOOGOWBD-UHFFFAOYSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound