General Information of the Compound
| Compound ID |
CP0844489
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| Compound Name |
2-(4-(6,6-difluoro-2-azaspiro[3.3]heptane-2-carbonyl)-5-methyl-1H-pyrazol-1-yl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C17H16F2N6O2
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| Molecular Weight |
374.351
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| Canonical SMILES |
Cc1c(C(=O)N2CC3(C2)CC(F)(F)C3)cnn1-c1nc2cc[nH]c2c(=O)[nH]1
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| InChI |
InChI=1S/C17H16F2N6O2/c1-9-10(14(27)24-7-16(8-24)5-17(18,19)6-16)4-21-25(9)15-22-11-2-3-20-12(11)13(26)23-15/h2-4,20H,5-8H2,1H3,(H,22,23,26)
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| InChIKey |
QQFAJQTXAYVFSG-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