General Information of the Compound
| Compound ID |
CP0502680
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| Compound Name |
4-Methyl-5-(2,4,4-trimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-thiophene-2-carbonitrile
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| Structure |
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| Formula |
C17H18N2OS
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| Molecular Weight |
298.411
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| Canonical SMILES |
CC1Nc2ccc(cc2C(C)(C)O1)-c1sc(cc1C)C#N
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| InChI |
InChI=1S/C17H18N2OS/c1-10-7-13(9-18)21-16(10)12-5-6-15-14(8-12)17(3,4)20-11(2)19-15/h5-8,11,19H,1-4H3
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| InChIKey |
OHOHBQPNCZKEQK-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