General Information of the Compound
| Compound ID |
CP0525445
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| Compound Name |
2-(2,6-Difluorophenyl)-2-(1-((1,3,5-trimethyl-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetonitrile
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| Structure |
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| Formula |
C19H20F2N4O2S
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| Molecular Weight |
406.458
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| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1c(F)cccc1F
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| InChI |
InChI=1S/C19H20F2N4O2S/c1-12-19(13(2)24(3)23-12)28(26,27)25-9-7-14(8-10-25)15(11-22)18-16(20)5-4-6-17(18)21/h4-6H,7-10H2,1-3H3
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| InChIKey |
VDVDABQETCMGBF-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