General Information of the Compound
| Compound ID |
CP0491435
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| Compound Name |
5-[8-oxo-5-(2-piperidin-4-yloxypyrimidin-5-yl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
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| Structure |
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| Formula |
C22H20F3N7O2S
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| Molecular Weight |
503.51
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| Canonical SMILES |
FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2cnc(OC3CCNCC3)nc2)C2(CCC2)C1=O
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| InChI |
InChI=1S/C22H20F3N7O2S/c23-22(24,25)16-8-13(10-28-17(16)9-26)31-18(33)21(4-1-5-21)32(20(31)35)14-11-29-19(30-12-14)34-15-2-6-27-7-3-15/h8,10-12,15,27H,1-7H2
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| InChIKey |
QWTUBLVEMRHUOG-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