General Information of the Compound
| Compound ID |
CP0820605
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| Compound Name |
2-(4-(4-(3-chlorophenylsulfonyl)piperazine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C21H20ClN7O4S
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| Molecular Weight |
501.956
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H20ClN7O4S/c1-14-17(13-23-29(14)21-24-19(30)18-6-3-7-28(18)25-21)20(31)26-8-10-27(11-9-26)34(32,33)16-5-2-4-15(22)12-16/h2-7,12-13H,8-11H2,1H3,(H,24,25,30)
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| InChIKey |
KAOPBGRGGZHMRK-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