General Information of the Compound
| Compound ID |
CP0958058
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| Compound Name |
6-methyl-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-1,2,3-triazol-1-yl]-3,4-dihydropyrimidin-4-one
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| Structure |
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| Formula |
C17H16N6O2
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| Molecular Weight |
336.355
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2cc(C(=O)N3CCc4ccccc4C3)nn2)n1
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| InChI |
InChI=1S/C17H16N6O2/c1-11-8-15(24)19-17(18-11)23-10-14(20-21-23)16(25)22-7-6-12-4-2-3-5-13(12)9-22/h2-5,8,10H,6-7,9H2,1H3,(H,18,19,24)
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| InChIKey |
VDZKCOILUJRDRJ-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