General Information of the Compound
| Compound ID |
CP0121087
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| Compound Name |
6-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1,2-dihydropyridazine-3,4-dione
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| Structure |
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| Formula |
C14H10F6N2O2
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| Molecular Weight |
352.234
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| Canonical SMILES |
Oc1cc(CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n[nH]c1=O
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| InChI |
InChI=1S/C14H10F6N2O2/c15-13(16,17)8-3-7(4-9(5-8)14(18,19)20)1-2-10-6-11(23)12(24)22-21-10/h3-6H,1-2H2,(H,21,23)(H,22,24)
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| InChIKey |
JRZSGUBDBHTWCQ-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