General Information of the Compound
| Compound ID |
CP0533438
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| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[S-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)sulfonimidoyl]urea
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| Structure |
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| Formula |
C22H24F3N3O2S
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| Molecular Weight |
451.514
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(NC(=O)Nc1c2CCCc2cc2CCCc12)=NCC(F)(F)F
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| InChI |
InChI=1S/C22H24F3N3O2S/c1-14-8-10-17(11-9-14)31(30,26-13-22(23,24)25)28-21(29)27-20-18-6-2-4-15(18)12-16-5-3-7-19(16)20/h8-12H,2-7,13H2,1H3,(H2,26,27,28,29,30)
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| InChIKey |
LMRFCWCHXADBNZ-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