General Information of the Compound
| Compound ID |
CP0768918
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| Compound Name |
2-(5-methyl-4-(4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl)-1H-pyrazol-1-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C17H19F3N6O3
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| Molecular Weight |
412.372
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nc2c(c(=O)[nH]1)COC2
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| InChI |
InChI=1S/C17H19F3N6O3/c1-10-11(15(28)25-4-2-24(3-5-25)9-17(18,19)20)6-21-26(10)16-22-13-8-29-7-12(13)14(27)23-16/h6H,2-5,7-9H2,1H3,(H,22,23,27)
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| InChIKey |
IPXOGQLVXYOOHU-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