General Information of the Compound
| Compound ID |
CP0009382
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| Compound Name |
1,3-dimethyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[4,3-e][1,2,4]triazin-5-amine
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| Structure |
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| Formula |
C17H21N7O2S
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| Molecular Weight |
387.469
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| Canonical SMILES |
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12
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| InChI |
InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)
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| InChIKey |
LIVSCLDRZBLHMQ-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