General Information of the Compound
| Compound ID |
CP0040470
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| Compound Name |
4-(2,2,4,4-Tetramethyl-3-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-thiophene-2-carbonitrile
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| Structure |
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| Formula |
C18H18N2OS
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| Molecular Weight |
310.422
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| Canonical SMILES |
CC1(C)Nc2ccc(cc2C(C)(C)C1=O)-c1csc(c1)C#N
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| InChI |
InChI=1S/C18H18N2OS/c1-17(2)14-8-11(12-7-13(9-19)22-10-12)5-6-15(14)20-18(3,4)16(17)21/h5-8,10,20H,1-4H3
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| InChIKey |
ZWGPOLYPUOBDPY-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