General Information of the Compound
| Compound ID |
CP0533439
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| Compound Name |
N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide
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| Structure |
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| Formula |
C22H25N3O3S
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| Molecular Weight |
411.527
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| Canonical SMILES |
CC(=O)N=S(=O)(NC(=O)Nc1c2CCCc2cc2CCCc12)c1ccc(C)cc1
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| InChI |
InChI=1S/C22H25N3O3S/c1-14-9-11-18(12-10-14)29(28,24-15(2)26)25-22(27)23-21-19-7-3-5-16(19)13-17-6-4-8-20(17)21/h9-13H,3-8H2,1-2H3,(H2,23,24,25,26,27,28)
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| InChIKey |
NRMJIUNGTHZIEJ-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