General Information of the Compound
| Compound ID |
CP0540778
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| Compound Name |
1-[N-cyano-S-(3-cyanophenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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| Structure |
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| Formula |
C21H19N5O2S
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| Molecular Weight |
405.483
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| Canonical SMILES |
O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=NC#N)c1cccc(c1)C#N
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| InChI |
InChI=1S/C21H19N5O2S/c22-12-14-4-1-7-17(10-14)29(28,24-13-23)26-21(27)25-20-18-8-2-5-15(18)11-16-6-3-9-19(16)20/h1,4,7,10-11H,2-3,5-6,8-9H2,(H2,24,25,26,27,28)
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| InChIKey |
XPQDNIYYHPOBPO-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