General Information of the Compound
| Compound ID |
CP0547525
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| Compound Name |
(5S)-5-[3-(difluoromethyl)pyridin-2-yl]-5-methoxy-8-oxospiro[2.5]oct-6-ene-7-carbonitrile
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| Structure |
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| Formula |
C16H14F2N2O2
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| Molecular Weight |
304.296
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| Canonical SMILES |
CO[C@]1(CC2(CC2)C(=O)C(=C1)C#N)c1ncccc1C(F)F
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| InChI |
InChI=1S/C16H14F2N2O2/c1-22-16(12-11(14(17)18)3-2-6-20-12)7-10(8-19)13(21)15(9-16)4-5-15/h2-3,6-7,14H,4-5,9H2,1H3/t16-/m1/s1
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| InChIKey |
GTNVTONZQZYADB-MRXNPFEDSA-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