General Information of the Compound
| Compound ID |
CP0554912
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| Compound Name |
sodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamimidate
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| Structure |
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| Formula |
C20H23N2NaO5S
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| Molecular Weight |
426.47
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| Canonical SMILES |
[Na+].CC(C)(O)c1coc(c1)S(=O)(=O)[N-]C(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C20H24N2O5S.Na/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18;/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23);/q;+1/p-1
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| InChIKey |
LFQQNXFKPNZRFT-UHFFFAOYSA-M
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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