General Information of the Compound
| Compound ID |
CP0479429
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| Compound Name |
3-methoxy-5-[5-[4-(1-methylpiperidin-4-yl)oxyphenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]pyridine-2-carbonitrile
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| Structure |
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| Formula |
C25H27N5O3S
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| Molecular Weight |
477.59
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| Canonical SMILES |
COc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCN(C)CC3)cc2)C2(CCC2)C1=O
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| InChI |
InChI=1S/C25H27N5O3S/c1-28-12-8-20(9-13-28)33-19-6-4-17(5-7-19)30-24(34)29(23(31)25(30)10-3-11-25)18-14-22(32-2)21(15-26)27-16-18/h4-7,14,16,20H,3,8-13H2,1-2H3
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| InChIKey |
JQULNFLHCKLUKJ-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