General Information of the Compound
| Compound ID |
CP0009381
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| Compound Name |
1,3-dimethyl-N-(4-piperazin-1-ylsulfonylphenyl)pyrazolo[4,3-e][1,2,4]triazin-5-amine
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| Structure |
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| Formula |
C16H20N8O2S
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| Molecular Weight |
388.457
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| Canonical SMILES |
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12
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| InChI |
InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)
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| InChIKey |
RMVSGWFTFSXFIS-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