General Information of the Compound
| Compound ID |
CP0548100
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| Compound Name |
US10167273, Example 89
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| Synonyms |
4-(4-Chloro-2-methoxybenzyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-ol
BDBM250610
CHEMBL3889563
JDTHPTFPMSSAJL-UHFFFAOYSA-N
SCHEMBL15549096
US9475795, 89
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| Structure |
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| Formula |
C18H24ClN3O4S
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| Molecular Weight |
413.927
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| Canonical SMILES |
COc1cc(Cl)ccc1CC1(O)CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
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| InChI |
InChI=1S/C18H24ClN3O4S/c1-12-17(13(2)21-20-12)27(24,25)22-8-6-18(23,7-9-22)11-14-4-5-15(19)10-16(14)26-3/h4-5,10,23H,6-9,11H2,1-3H3,(H,20,21)
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| InChIKey |
JDTHPTFPMSSAJL-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
Clinical Information about the Compound