General Information of the Compound
| Compound ID |
CP0516125
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| Compound Name |
5-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-4-methyl-thiophene-2-carbonitrile
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| Structure |
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| Formula |
C16H14N2OS
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| Molecular Weight |
282.368
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| Canonical SMILES |
Cc1cc(sc1-c1ccc2NC(=O)C(C)(C)c2c1)C#N
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| InChI |
InChI=1S/C16H14N2OS/c1-9-6-11(8-17)20-14(9)10-4-5-13-12(7-10)16(2,3)15(19)18-13/h4-7H,1-3H3,(H,18,19)
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| InChIKey |
NIOCARGZGKGNDA-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