General Information of the Compound
| Compound ID |
CP0946655
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| Compound Name |
2-(5-methyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C20H18N6O2
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| Molecular Weight |
374.404
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| Canonical SMILES |
Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc2cc[nH]c2c(=O)[nH]1
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| InChI |
InChI=1S/C20H18N6O2/c1-12-15(19(28)25-9-7-13-4-2-3-5-14(13)11-25)10-22-26(12)20-23-16-6-8-21-17(16)18(27)24-20/h2-6,8,10,21H,7,9,11H2,1H3,(H,23,24,27)
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| InChIKey |
GWPJUGAZNOYWMZ-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