General Information of the Compound
| Compound ID |
CP0659942
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| Compound Name |
1-Methyl-1H-imidazole-4-sulfonic acid (3-{1-[6,6-bis-(2-cyclopropyl-ethyl)-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl]-propyl}-phenyl)-amide
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| Formula |
C28H37N3O5S
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| Molecular Weight |
527.687
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| Canonical SMILES |
CCC(C1=C(O)OC(CCC2CC2)(CCC2CC2)CC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
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| InChI |
InChI=1S/C28H37N3O5S/c1-3-23(21-5-4-6-22(15-21)30-37(34,35)25-17-31(2)18-29-25)26-24(32)16-28(36-27(26)33,13-11-19-7-8-19)14-12-20-9-10-20/h4-6,15,17-20,23,30,33H,3,7-14,16H2,1-2H3
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| InChIKey |
JXMMIWDWHVCNTF-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