General Information of the Compound
| Compound ID |
CP0959282
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| Compound Name |
2-(5-methyl-4-(4-(3,3,3-trifluoropropylsulfonyl)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 |
C18H20F3N7O4S
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| Molecular Weight |
487.464
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H20F3N7O4S/c1-12-13(11-22-28(12)17-23-15(29)14-3-2-5-27(14)24-17)16(30)25-6-8-26(9-7-25)33(31,32)10-4-18(19,20)21/h2-3,5,11H,4,6-10H2,1H3,(H,23,24,29)
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| InChIKey |
ZPULOMFPBHUQMS-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