General Information of the Compound
| Compound ID |
CP0768916
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| Compound Name |
2-(5-methyl-4-(6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptane-3-carbonyl)-1H-pyrazol-1-yl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C18H18F3N7O2
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| Molecular Weight |
421.383
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CC(C2)N3CC(F)(F)F)cnn1-c1nc2cc[nH]c2c(=O)[nH]1
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| InChI |
InChI=1S/C18H18F3N7O2/c1-9-12(5-23-28(9)17-24-13-2-3-22-14(13)15(29)25-17)16(30)26-6-10-4-11(7-26)27(10)8-18(19,20)21/h2-3,5,10-11,22H,4,6-8H2,1H3,(H,24,25,29)
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| InChIKey |
IOPLJYFXDOMNNZ-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