General Information of the Compound
| Compound ID |
CP0230627
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| Compound Name |
arylpyrazole, 29
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| Structure |
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| Formula |
C21H22ClF2N5
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| Molecular Weight |
417.891
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| Canonical SMILES |
Cc1c(CNC2CCC(F)(F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
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| InChI |
InChI=1S/C21H22ClF2N5/c1-13-5-6-15(11-26-13)19-14(2)18(12-27-16-7-8-21(23,24)10-16)28-29(19)20-17(22)4-3-9-25-20/h3-6,9,11,16,27H,7-8,10,12H2,1-2H3
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| InChIKey |
DMJMZMXUINSYIJ-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