General Information of the Compound
| Compound ID |
CP0823477
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| Compound Name |
2-(5-methyl-4-(4-(2-(trifluoromethyl)phenylsulfonyl)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 |
C22H20F3N7O4S
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| Molecular Weight |
535.508
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H20F3N7O4S/c1-14-15(13-26-32(14)21-27-19(33)17-6-4-8-31(17)28-21)20(34)29-9-11-30(12-10-29)37(35,36)18-7-3-2-5-16(18)22(23,24)25/h2-8,13H,9-12H2,1H3,(H,27,28,33)
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| InChIKey |
SPCVTGYFGYFNAM-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