General Information of the Compound
| Compound ID |
CP0905460
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| Compound Name |
2-(4-(4-(3,3-difluorocyclobutyl)piperazine-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 |
C19H21F2N7O2
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| Molecular Weight |
417.42
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C3CC(F)(F)C3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H21F2N7O2/c1-12-14(11-22-28(12)18-23-16(29)15-3-2-4-27(15)24-18)17(30)26-7-5-25(6-8-26)13-9-19(20,21)10-13/h2-4,11,13H,5-10H2,1H3,(H,23,24,29)
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| InChIKey |
QIPVPLPKRDKIBQ-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