General Information of the Compound
| Compound ID |
CP0964655
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| Compound Name |
2-(5-methyl-4-(4-(thiazol-2-yl)piperazine-1-carbonyl)-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 |
C18H18N8O2S
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| Molecular Weight |
410.463
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3nccs3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H18N8O2S/c1-12-13(16(28)23-6-8-24(9-7-23)18-19-4-10-29-18)11-20-26(12)17-21-15(27)14-3-2-5-25(14)22-17/h2-5,10-11H,6-9H2,1H3,(H,21,22,27)
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| InChIKey |
KOGKNSJEIOWWOC-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