General Information of the Compound
| Compound ID |
CP0460727
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| Compound Name |
3-(2-sulfanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)benzonitrile
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| Structure |
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| Formula |
C20H18N2OS
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| Molecular Weight |
334.444
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| Canonical SMILES |
S=C1Nc2ccc(cc2C2(CCCCC2)O1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C20H18N2OS/c21-13-14-5-4-6-15(11-14)16-7-8-18-17(12-16)20(23-19(24)22-18)9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2,(H,22,24)
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| InChIKey |
SHWQSMSSKKIGRW-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