General Information of the Compound
| Compound ID |
CP0944287
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| Compound Name |
2-(4-(4-(3,4-difluorophenylsulfonyl)piperidine-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 |
C22H20F2N6O4S
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| Molecular Weight |
502.503
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H20F2N6O4S/c1-13-16(12-25-30(13)22-26-20(31)19-3-2-8-29(19)27-22)21(32)28-9-6-14(7-10-28)35(33,34)15-4-5-17(23)18(24)11-15/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,26,27,31)
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| InChIKey |
WAJMHFCXGWXFSI-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