General Information of the Compound
| Compound ID |
CP0479448
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| Compound Name |
5-[5-[6-(1-methylpiperidin-4-yl)oxypyridin-3-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 |
C24H23F3N6O2S
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| Molecular Weight |
516.549
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| Canonical SMILES |
CN1CCC(CC1)Oc1ccc(cn1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N6O2S/c1-31-9-5-17(6-10-31)35-20-4-3-15(13-30-20)33-22(36)32(21(34)23(33)7-2-8-23)16-11-18(24(25,26)27)19(12-28)29-14-16/h3-4,11,13-14,17H,2,5-10H2,1H3
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| InChIKey |
QWOXNKRFQAABQG-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