General Information of the Compound
| Compound ID |
CP0499068
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| Compound Name |
N-(3-chlorophenyl)sulfonyl-N'-ethyl-8-oxa-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide
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| Structure |
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| Formula |
C16H21ClN4O3S
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| Molecular Weight |
384.889
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| Canonical SMILES |
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCOCC2)C=N1
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| InChI |
InChI=1S/C16H21ClN4O3S/c1-2-18-15(20-25(22,23)14-5-3-4-13(17)10-14)21-12-16(11-19-21)6-8-24-9-7-16/h3-5,10-11H,2,6-9,12H2,1H3,(H,18,20)
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| InChIKey |
XAOXBIDATUXSAL-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