General Information of the Compound
| Compound ID |
CP0913647
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| Compound Name |
2-(4-(4-(phenylsulfonyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C21H19N5O4S2
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| Molecular Weight |
469.548
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| Canonical SMILES |
O=C(c1cnn(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C21H19N5O4S2/c27-19-18-17(8-11-31-18)23-21(24-19)26-13-14(12-22-26)20(28)25-9-6-16(7-10-25)32(29,30)15-4-2-1-3-5-15/h1-5,8,11-13,16H,6-7,9-10H2,(H,23,24,27)
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| InChIKey |
JETBIMSLNSMYFH-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