General Information of the Compound
| Compound ID |
CP0229943
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| Compound Name |
1-[4-(4-cyclopentylpiperazin-1-yl)sulfonylphenyl]-3-methoxy-2-methylpyridin-4-one
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| Formula |
C22H29N3O4S
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| Molecular Weight |
431.558
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| Canonical SMILES |
COc1c(C)n(ccc1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C22H29N3O4S/c1-17-22(29-2)21(26)11-12-25(17)19-7-9-20(10-8-19)30(27,28)24-15-13-23(14-16-24)18-5-3-4-6-18/h7-12,18H,3-6,13-16H2,1-2H3
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| InChIKey |
DOJLKAOUCFHQSE-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