General Information of the Compound
| Compound ID |
CP0365480
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| Compound Name |
6-[6-butoxy-5-(hydroxymethyl)-2-(2-hydroxy-2-methylpropoxy)pyridin-3-yl]pyridine-3-sulfonamide
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| Formula |
C19H27N3O6S
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| Molecular Weight |
425.507
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| Canonical SMILES |
CCCCOc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cn1)S(N)(=O)=O
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| InChI |
InChI=1S/C19H27N3O6S/c1-4-5-8-27-17-13(11-23)9-15(18(22-17)28-12-19(2,3)24)16-7-6-14(10-21-16)29(20,25)26/h6-7,9-10,23-24H,4-5,8,11-12H2,1-3H3,(H2,20,25,26)
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| InChIKey |
UYFPVPNDUPZXJW-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