General Information of the Compound
| Compound ID |
CP0571273
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| Compound Name |
(2S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
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| Structure |
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| Formula |
C19H25N3O3S2
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| Molecular Weight |
407.561
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| Canonical SMILES |
C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C19H25N3O3S2/c1-14-11-15(13-26-19-20-7-9-21(19)2)5-8-22(14)27(23,24)17-3-4-18-16(12-17)6-10-25-18/h3-4,7,9,12,14-15H,5-6,8,10-11,13H2,1-2H3/t14-,15-/m0/s1
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| InChIKey |
NRQBWJILECLRIY-GJZGRUSLSA-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