General Information of the Compound
| Compound ID |
CP0726223
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| Compound Name |
2-(4-(4-(phenylsulfonyl)piperidine-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 |
C21H20N6O4S
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| Molecular Weight |
452.496
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C21H20N6O4S/c28-19-18-7-4-10-26(18)24-21(23-19)27-14-15(13-22-27)20(29)25-11-8-17(9-12-25)32(30,31)16-5-2-1-3-6-16/h1-7,10,13-14,17H,8-9,11-12H2,(H,23,24,28)
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| InChIKey |
CMIBLQXKEBUQMN-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