General Information of the Compound
| Compound ID |
CP0467354
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| Compound Name |
2-(1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-ylidene)-2-(4-(trifluoromethoxy)phenypacetonitrile
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| Structure |
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| Formula |
C19H19F3N4O3S
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| Molecular Weight |
440.447
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C19H19F3N4O3S/c1-12-18(13(2)25-24-12)30(27,28)26-9-7-15(8-10-26)17(11-23)14-3-5-16(6-4-14)29-19(20,21)22/h3-6H,7-10H2,1-2H3,(H,24,25)
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| InChIKey |
KRQZAVUNAGZXQM-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