General Information of the Compound
| Compound ID |
CP0831454
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| Compound Name |
2-(4-(4-(2,4-dimethylthiazol-5-ylsulfonyl)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 |
C20H22N8O4S2
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| Molecular Weight |
502.582
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| Canonical SMILES |
Cc1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4nn5cccc5c(=O)[nH]4)c3C)CC2)s1
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| InChI |
InChI=1S/C20H22N8O4S2/c1-12-19(33-14(3)22-12)34(31,32)26-9-7-25(8-10-26)18(30)15-11-21-28(13(15)2)20-23-17(29)16-5-4-6-27(16)24-20/h4-6,11H,7-10H2,1-3H3,(H,23,24,29)
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| InChIKey |
UNGIALNDZVXASW-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