General Information of the Compound
| Compound ID |
CP0471586
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| Compound Name |
Methyl 2-(4-Chlorophenyl)-2-(1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetate
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| Structure |
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| Formula |
C19H22ClN3O4S
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| Molecular Weight |
423.922
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| Canonical SMILES |
COC(=O)C(=C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H22ClN3O4S/c1-12-18(13(2)22-21-12)28(25,26)23-10-8-15(9-11-23)17(19(24)27-3)14-4-6-16(20)7-5-14/h4-7H,8-11H2,1-3H3,(H,21,22)
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| InChIKey |
AJJRKLYODDLARY-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