General Information of the Compound
| Compound ID |
CP0568547
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| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-thiophen-2-ylethenyl]sulfonylurea
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| Structure |
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| Formula |
C19H20N2O3S2
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| Molecular Weight |
388.514
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| Canonical SMILES |
O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1cccs1
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| InChI |
InChI=1S/C19H20N2O3S2/c22-19(21-26(23,24)11-9-15-6-3-10-25-15)20-18-16-7-1-4-13(16)12-14-5-2-8-17(14)18/h3,6,9-12H,1-2,4-5,7-8H2,(H2,20,21,22)/b11-9+
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| InChIKey |
OUAHHNPNEVEQDS-PKNBQFBNSA-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