General Information of the Compound
| Compound ID |
CP0567476
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| Compound Name |
5-[8-oxo-5-(4-piperidin-4-yloxyphenyl)-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 |
C24H22F3N5O2S
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| Molecular Weight |
501.534
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| Canonical SMILES |
FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)cc2)C2(CCC2)C1=O
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| InChI |
InChI=1S/C24H22F3N5O2S/c25-24(26,27)19-12-16(14-30-20(19)13-28)31-21(33)23(8-1-9-23)32(22(31)35)15-2-4-17(5-3-15)34-18-6-10-29-11-7-18/h2-5,12,14,18,29H,1,6-11H2
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| InChIKey |
BJYQIDOKTISRPH-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