General Information of the Compound
| Compound ID |
CP0812542
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| Compound Name |
2-(4-(4-(3,4-difluorophenylsulfonyl)piperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C22H19F2N5O4S2
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| Molecular Weight |
519.555
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H19F2N5O4S2/c1-12-15(11-25-29(12)22-26-18-6-9-34-19(18)20(30)27-22)21(31)28-7-4-13(5-8-28)35(32,33)14-2-3-16(23)17(24)10-14/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,26,27,30)
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| InChIKey |
HQZAUAUHIYWPNF-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