General Information of the Compound
| Compound ID |
CP0527211
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| Compound Name |
1-[N-cyano-S-(3-fluoro-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 |
C21H21FN4O2S
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| Molecular Weight |
412.49
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| Canonical SMILES |
Cc1ccc(cc1F)S(=O)(NC(=O)Nc1c2CCCc2cc2CCCc12)=NC#N
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| InChI |
InChI=1S/C21H21FN4O2S/c1-13-8-9-16(11-19(13)22)29(28,24-12-23)26-21(27)25-20-17-6-2-4-14(17)10-15-5-3-7-18(15)20/h8-11H,2-7H2,1H3,(H2,24,25,26,27,28)
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| InChIKey |
RZADJFPOASAKCT-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