General Information of the Compound
| Compound ID |
CP0281838
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| Compound Name |
2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carbonitrile
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| Structure |
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| Formula |
C20H19NOS
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| Molecular Weight |
321.445
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| Canonical SMILES |
O=c1cc(sc2ccc(cc12)C#N)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C20H19NOS/c21-11-12-1-2-18-16(6-12)17(22)7-19(23-18)20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6-7,13-15H,3-5,8-10H2
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| InChIKey |
AYLZLUIAGWILQY-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