General Information of the Compound
| Compound ID |
CP0745162
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| Compound Name |
2-(4-(4-(3,4-difluorophenylsulfonyl)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 |
C21H18F2N6O4S
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| Molecular Weight |
488.476
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(S(=O)(=O)c2ccc(F)c(F)c2)CC1
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| InChI |
InChI=1S/C21H18F2N6O4S/c22-16-4-3-15(10-17(16)23)34(32,33)14-5-8-27(9-6-14)20(31)13-11-24-29(12-13)21-25-19(30)18-2-1-7-28(18)26-21/h1-4,7,10-12,14H,5-6,8-9H2,(H,25,26,30)
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| InChIKey |
SJZTZBNAJBXAFT-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