General Information of the Compound
| Compound ID |
CP0534614
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| Compound Name |
N-(3-chloro-4-methoxyphenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
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| Structure |
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| Formula |
C17H23ClN4O3S
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| Molecular Weight |
398.916
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| Canonical SMILES |
CCN\C(=N/S(=O)(=O)c1ccc(OC)c(Cl)c1)N1CC2(CCCC2)C=N1
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| InChI |
InChI=1S/C17H23ClN4O3S/c1-3-19-16(22-12-17(11-20-22)8-4-5-9-17)21-26(23,24)13-6-7-15(25-2)14(18)10-13/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,21)
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| InChIKey |
LDDMSCHPVKCVDL-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