General Information of the Compound
| Compound ID |
CP0537526
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| Compound Name |
5-chloro-3,3-dimethyl-2-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]isoindol-1-one
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| Structure |
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| Formula |
C20H23ClN4O3S
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| Molecular Weight |
434.949
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| Canonical SMILES |
CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(n1)C1CCCN(C1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H23ClN4O3S/c1-20(2)16-9-14(21)6-7-15(16)19(26)25(20)18-11-22-10-17(23-18)13-5-4-8-24(12-13)29(3,27)28/h6-7,9-11,13H,4-5,8,12H2,1-3H3
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| InChIKey |
ZXYVATMRKYIVRV-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