General Information of the Compound
| Compound ID |
CP0578832
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| Compound Name |
2-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]sulfonyl]piperidin-4-yl]oxypyrazine
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| Formula |
C14H16F3N5O3S
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| Molecular Weight |
391.375
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| Canonical SMILES |
Cc1[nH]nc(c1S(=O)(=O)N1CCC(CC1)Oc1cnccn1)C(F)(F)F
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| InChI |
InChI=1S/C14H16F3N5O3S/c1-9-12(13(21-20-9)14(15,16)17)26(23,24)22-6-2-10(3-7-22)25-11-8-18-4-5-19-11/h4-5,8,10H,2-3,6-7H2,1H3,(H,20,21)
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| InChIKey |
BNYXFVJBJIPXLB-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