General Information of the Compound
| Compound ID |
CP0540748
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| Compound Name |
1-[N-carbamoyl-S-(4-methylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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| Structure |
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| Formula |
C21H24N4O3S
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| Molecular Weight |
412.515
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(NC(=O)Nc1c2CCCc2cc2CCCc12)=NC(N)=O
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| InChI |
InChI=1S/C21H24N4O3S/c1-13-8-10-16(11-9-13)29(28,24-20(22)26)25-21(27)23-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19/h8-12H,2-7H2,1H3,(H4,22,23,24,25,26,27,28)
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| InChIKey |
AVOYRABFZKZGNN-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