General Information of the Compound
| Compound ID |
CP0549145
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| Compound Name |
5-[5-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-8-oxo-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 |
C23H22F3N7O2S
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| Molecular Weight |
517.537
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| Canonical SMILES |
CN1CCC(CC1)Oc1ncc(cn1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N7O2S/c1-31-7-3-16(4-8-31)35-20-29-12-15(13-30-20)33-21(36)32(19(34)22(33)5-2-6-22)14-9-17(23(24,25)26)18(10-27)28-11-14/h9,11-13,16H,2-8H2,1H3
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| InChIKey |
FETCXMHYNSCFGK-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