General Information of the Compound
| Compound ID |
CP0475704
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| Compound Name |
US10167273, Example 19
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| Synonyms |
4-Phenoxy-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
BDBM250540
CHEMBL3891428
SCHEMBL15549092
UOPFZPMEKNDBSU-UHFFFAOYSA-N
US9475795, 19
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| Structure |
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| Formula |
C17H23N3O3S
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| Molecular Weight |
349.456
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| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccccc1
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| InChI |
InChI=1S/C17H23N3O3S/c1-13-17(14(2)19(3)18-13)24(21,22)20-11-9-16(10-12-20)23-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3
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| InChIKey |
UOPFZPMEKNDBSU-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